5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one

C20H13ClN2O — CID 162750794

IUPAC5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2cc(-c3ccccc3)nc3cc(Cl)ccc23)c[nH]1
InChIInChI=1S/C20H13ClN2O/c21-15-7-8-16-17(14-6-9-20(24)22-12-14)11-18(23-19(16)10-15)13-4-2-1-3-5-13/h1-12H,(H,22,24)
InChIKeyVGYHPQYJIQPUHD-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.91
Rot. Bonds2

About 5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one

5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one (PubChem CID 162750794) has the molecular formula C20H13ClN2O and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one
PubChem CID162750794
Molecular FormulaC20H13ClN2O
Molecular Weight332.79 g/mol
Exact Mass332.07
IUPAC Name5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2cc(-c3ccccc3)nc3cc(Cl)ccc23)c[nH]1
InChIInChI=1S/C20H13ClN2O/c21-15-7-8-16-17(14-6-9-20(24)22-12-14)11-18(23-19(16)10-15)13-4-2-1-3-5-13/h1-12H,(H,22,24)
InChIKeyVGYHPQYJIQPUHD-UHFFFAOYSA-N
XLogP4.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
6-chloro-N-heptyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10426799
N~1~-(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)hexane-1,6-diamine
CID 17989633
2-Chloro-N-cyclopropyl-4-quinolinecarboxamide
CID 7131550
N-benzyl-6-chloro-1,2,3,4-tetrahydroacridin-9-amine
CID 10711007
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
CID 6473490
N-[6-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-hexyl]-3-(1H-indol-3-yl)acrylamide
CID 11397926
N-(3-aminopropyl)-6-chloro-1,2,3,4-tetrahydroacridin-9-amine
CID 23645224
6-[3-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 24989831
N~1~-(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)nonane-1,9-diamine
CID 67068835
N~1~-(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine
CID 67068841
N'-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 73348963

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one (CID 162750794) is 5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one is O=c1ccc(-c2cc(-c3ccccc3)nc3cc(Cl)ccc23)c[nH]1.
What is the InChIKey of 5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one?
The InChIKey is VGYHPQYJIQPUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O/c21-15-7-8-16-17(14-6-9-20(24)22-12-14)11-18(23-19(16)10-15)13-4-2-1-3-5-13/h1-12H,(H,22,24).
What are the key properties of 5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one?
5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one has a molecular weight of 332.79 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-2-phenylquinolin-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 162750794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).