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1228168-54-4 | Benzo[b][1,6]naphthyridine-2(1H)-acetamide, N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-10-[[4-(2-hydroxyethyl)-1-piperazinyl]carbonyl]-
CAS No: 1228168-54-4 Catalog No: AG000JJN MDL No:MFCD22376817
Product Description
Catalog Number:
AG000JJN
Chemical Name:
Benzo[b][1,6]naphthyridine-2(1H)-acetamide, N-(5-chloro-2-methoxyphenyl)-3,4-dihydro-10-[[4-(2-hydroxyethyl)-1-piperazinyl]carbonyl]-
CAS Number:
1228168-54-4
Molecular Formula:
C28H32ClN5O4
Molecular Weight:
538.0378
MDL Number:
MFCD22376817
IUPAC Name:
N-(5-chloro-2-methoxyphenyl)-2-[10-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
InChI:
InChI=1S/C28H32ClN5O4/c1-38-25-7-6-19(29)16-24(25)31-26(36)18-33-9-8-23-21(17-33)27(20-4-2-3-5-22(20)30-23)28(37)34-12-10-32(11-13-34)14-15-35/h2-7,16,35H,8-15,17-18H2,1H3,(H,31,36)
InChI Key:
UJMJIOLCOQYIKU-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)C(=O)c1c2CN(CCc2nc2c1cccc2)CC(=O)Nc1cc(Cl)ccc1OC
Properties
Complexity:
812
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
537.214g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
538.045g/mol
Monoisotopic Mass:
537.214g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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