6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one

C21H17ClN2O — CID 19854603

IUPAC6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(c3ccc(Cl)cc3)c3cccnc3)ccc2N1
InChIInChI=1S/C21H17ClN2O/c22-18-7-3-14(4-8-18)21(17-2-1-11-23-13-17)16-5-9-19-15(12-16)6-10-20(25)24-19/h1-5,7-9,11-13,21H,6,10H2,(H,24,25)
InChIKeyYYUQKSVYWACURR-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.80
Rot. Bonds3

About 6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one

6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 19854603) has the molecular formula C21H17ClN2O and a molecular weight of 348.83 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID19854603
Molecular FormulaC21H17ClN2O
Molecular Weight348.83 g/mol
Exact Mass348.10
IUPAC Name6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(c3ccc(Cl)cc3)c3cccnc3)ccc2N1
InChIInChI=1S/C21H17ClN2O/c22-18-7-3-14(4-8-18)21(17-2-1-11-23-13-17)16-5-9-19-15(12-16)6-10-20(25)24-19/h1-5,7-9,11-13,21H,6,10H2,(H,24,25)
InChIKeyYYUQKSVYWACURR-UHFFFAOYSA-N
XLogP4.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854708
6-(2-methyl-1-pyridin-3-ylbutyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854649
6-chloro-3,4-dihydro-1H-quinolin-2-one
CID 11240825
5-[amino(pyridin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43198851
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
6-[(3-chlorophenyl)-(methylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483923
6-fluoro-7-(1-pyridin-3-ylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43723948
6-(5-phenyl-1-pyridin-3-ylpentan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 19854634
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
7-[amino-(4-chlorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342872
6-[chloro-(3-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61083566
6-[(2-bromo-4-chlorophenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107991468

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one (CID 19854603) is 6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(c3ccc(Cl)cc3)c3cccnc3)ccc2N1.
What is the InChIKey of 6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YYUQKSVYWACURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O/c22-18-7-3-14(4-8-18)21(17-2-1-11-23-13-17)16-5-9-19-15(12-16)6-10-20(25)24-19/h1-5,7-9,11-13,21H,6,10H2,(H,24,25).
What are the key properties of 6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 348.83 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-pyridin-3-ylmethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 19854603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).