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1693731-40-6 | N-[5-(2,3-dihydro-1,4-benzodioxine-6-amido)-2-methylphenyl]-2-[2-(pyrrolidin-1-yl)ethoxy]quinoline-6-carboxamide
CAS No: 1693731-40-6 Catalog No: AG01ELR0 MDL No:MFCD30738050
Product Description
Catalog Number:
AG01ELR0
Chemical Name:
N-[5-(2,3-dihydro-1,4-benzodioxine-6-amido)-2-methylphenyl]-2-[2-(pyrrolidin-1-yl)ethoxy]quinoline-6-carboxamide
CAS Number:
1693731-40-6
Molecular Formula:
C32H32N4O5
Molecular Weight:
552.6203
MDL Number:
MFCD30738050
IUPAC Name:
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]-2-(2-pyrrolidin-1-ylethoxy)quinoline-6-carboxamide
InChI:
InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
InChI Key:
KLHOCHQJHXNKAS-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)ccc(n2)OCCN1CCCC1)Nc1cc(ccc1C)NC(=O)c1ccc2c(c1)OCCO2
Properties
Complexity:
884
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
552.237g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
552.631g/mol
Monoisotopic Mass:
552.237g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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