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478247-20-0 | 1-[4-methyl-2-(pyrrolidin-1-yl)quinolin-3-yl]ethan-1-one
CAS No: 478247-20-0 Catalog No: AG00IW2P MDL No:MFCD01568550
Product Description
Catalog Number:
AG00IW2P
Chemical Name:
1-[4-methyl-2-(pyrrolidin-1-yl)quinolin-3-yl]ethan-1-one
CAS Number:
478247-20-0
Molecular Formula:
C16H18N2O
Molecular Weight:
254.3269
MDL Number:
MFCD01568550
IUPAC Name:
1-(4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)ethanone
InChI:
InChI=1S/C16H18N2O/c1-11-13-7-3-4-8-14(13)17-16(15(11)12(2)19)18-9-5-6-10-18/h3-4,7-8H,5-6,9-10H2,1-2H3
InChI Key:
ZPQCBFGKLBVYMH-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(nc2c(c1C)cccc2)N1CCCC1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.333g/mol
Monoisotopic Mass:
254.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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