(3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide

C17H15ClN2O2 — CID 135029476

IUPAC(3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide
SMILESNC(=O)[C@@]1(Cc2ccc(Cl)cc2)Cc2ccccc2NC1=O
InChIInChI=1S/C17H15ClN2O2/c18-13-7-5-11(6-8-13)9-17(15(19)21)10-12-3-1-2-4-14(12)20-16(17)22/h1-8H,9-10H2,(H2,19,21)(H,20,22)/t17-/m1/s1
InChIKeyHZVWSFZITSDQEY-QGZVFWFLSA-N
MW314.77 g/mol
LogP2.55
Rot. Bonds3

About (3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide

(3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide (PubChem CID 135029476) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is (3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide
PubChem CID135029476
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name(3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide
SMILESNC(=O)[C@@]1(Cc2ccc(Cl)cc2)Cc2ccccc2NC1=O
InChIInChI=1S/C17H15ClN2O2/c18-13-7-5-11(6-8-13)9-17(15(19)21)10-12-3-1-2-4-14(12)20-16(17)22/h1-8H,9-10H2,(H2,19,21)(H,20,22)/t17-/m1/s1
InChIKeyHZVWSFZITSDQEY-QGZVFWFLSA-N
XLogP2.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide?
The IUPAC name of (3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide (CID 135029476) is (3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide.
What is the SMILES notation for (3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide?
The canonical SMILES for (3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide is NC(=O)[C@@]1(Cc2ccc(Cl)cc2)Cc2ccccc2NC1=O.
What is the InChIKey of (3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide?
The InChIKey is HZVWSFZITSDQEY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-13-7-5-11(6-8-13)9-17(15(19)21)10-12-3-1-2-4-14(12)20-16(17)22/h1-8H,9-10H2,(H2,19,21)(H,20,22)/t17-/m1/s1.
What are the key properties of (3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide?
(3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-chlorophenyl)methyl]-2-oxo-1,4-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 135029476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).