7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one

C37H34ClN5O3 — CID 159065308

IUPAC7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2cc3c(cc2Cc2ccccn2)CCC(=O)N3)cn(C)c1=O.O=C1CCc2cc(Cc3ccccn3)c(Cl)cc2N1
InChIInChI=1S/C22H21N3O2.C15H13ClN2O/c1-14-9-17(13-25(2)22(14)27)19-12-20-15(6-7-21(26)24-20)10-16(19)11-18-5-3-4-8-23-18;16-13-9-14-10(4-5-15(19)18-14)7-11(13)8-12-3-1-2-6-17-12/h3-5,8-10,12-13H,6-7,11H2,1-2H3,(H,24,26);1-3,6-7,9H,4-5,8H2,(H,18,19)
InChIKeyJYZANZDJNQSEFD-UHFFFAOYSA-N
MW632.16 g/mol
LogP6.44
Rot. Bonds5

About 7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one

7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 159065308) has the molecular formula C37H34ClN5O3 and a molecular weight of 632.16 g/mol. Its IUPAC name is 7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID159065308
Molecular FormulaC37H34ClN5O3
Molecular Weight632.16 g/mol
Exact Mass631.24
IUPAC Name7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc(-c2cc3c(cc2Cc2ccccn2)CCC(=O)N3)cn(C)c1=O.O=C1CCc2cc(Cc3ccccn3)c(Cl)cc2N1
InChIInChI=1S/C22H21N3O2.C15H13ClN2O/c1-14-9-17(13-25(2)22(14)27)19-12-20-15(6-7-21(26)24-20)10-16(19)11-18-5-3-4-8-23-18;16-13-9-14-10(4-5-15(19)18-14)7-11(13)8-12-3-1-2-6-17-12/h3-5,8-10,12-13H,6-7,11H2,1-2H3,(H,24,26);1-3,6-7,9H,4-5,8H2,(H,18,19)
InChIKeyJYZANZDJNQSEFD-UHFFFAOYSA-N
XLogP6.44
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.16
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[[(3R,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]acetamide
CID 44389770
Quinoline-6-carboxylic acid [1''-(2,5-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399443
Quinoline-6-carboxylic acid [1''-(4-chloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399537
4-(2-chlorophenyl)-N-(2-dimethylaminoethyl)-5,7-dimethyl-6-(4-pyridyl)quinoline-2-carboxamide
CID 126594040
N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-6-carboxamide
CID 72703844
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide
CID 10973309
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)naphthalene-2-carboxamide
CID 11849450
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 44393821
4-(3-Chloro-4-methylphenylamino)-7-(pyridin-4-yl)quinoline-3-carboxamide
CID 44444466
2-[4-[(7-Chloroquinolin-4-yl)amino]butyl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 155511826
2-[2-[(7-Chloroquinolin-4-yl)amino]ethyl]-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzo[de]isoquinoline-1,3-dione
CID 155516131
2-[8-[(7-Chloroquinolin-4-yl)amino]octyl]benzo[de]isoquinoline-1,3-dione
CID 155518548

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one (CID 159065308) is 7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is Cc1cc(-c2cc3c(cc2Cc2ccccn2)CCC(=O)N3)cn(C)c1=O.O=C1CCc2cc(Cc3ccccn3)c(Cl)cc2N1.
What is the InChIKey of 7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JYZANZDJNQSEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.C15H13ClN2O/c1-14-9-17(13-25(2)22(14)27)19-12-20-15(6-7-21(26)24-20)10-16(19)11-18-5-3-4-8-23-18;16-13-9-14-10(4-5-15(19)18-14)7-11(13)8-12-3-1-2-6-17-12/h3-5,8-10,12-13H,6-7,11H2,1-2H3,(H,24,26);1-3,6-7,9H,4-5,8H2,(H,18,19).
What are the key properties of 7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one?
7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 632.16 g/mol, XLogP of 6.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one;7-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 159065308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).