(6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C17H16F2N2O2 — CID 95196424

IUPAC(6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESC[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccc(F)c(F)c3)cc2C1
InChIInChI=1S/C17H16F2N2O2/c1-9-2-5-15-10(6-9)7-12(17(23)21-15)16(22)20-11-3-4-13(18)14(19)8-11/h3-4,7-9H,2,5-6H2,1H3,(H,20,22)(H,21,23)/t9-/m1/s1
InChIKeyMEXLWVVWDBRKAV-SECBINFHSA-N
MW318.32 g/mol
LogP3.03
Rot. Bonds2

About (6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

(6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 95196424) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is (6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID95196424
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name(6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESC[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccc(F)c(F)c3)cc2C1
InChIInChI=1S/C17H16F2N2O2/c1-9-2-5-15-10(6-9)7-12(17(23)21-15)16(22)20-11-3-4-13(18)14(19)8-11/h3-4,7-9H,2,5-6H2,1H3,(H,20,22)(H,21,23)/t9-/m1/s1
InChIKeyMEXLWVVWDBRKAV-SECBINFHSA-N
XLogP3.03
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

(6R)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95397492
N-(2-cyanophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66494953
N-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 56921443
N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 56921801
N-(3,4-difluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495488
6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 154844621
6-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51054917
N-(3-chloro-4-methylphenyl)-7-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495570
N-(3,4-difluorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497927
2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 16672857
N-(3-chloro-4-fluorophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36764947
3-(hydroxymethyl)-6-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 82112035

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of (6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 95196424) is (6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for (6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for (6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is C[C@@H]1CCc2[nH]c(=O)c(C(=O)Nc3ccc(F)c(F)c3)cc2C1.
What is the InChIKey of (6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is MEXLWVVWDBRKAV-SECBINFHSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-9-2-5-15-10(6-9)7-12(17(23)21-15)16(22)20-11-3-4-13(18)14(19)8-11/h3-4,7-9H,2,5-6H2,1H3,(H,20,22)(H,21,23)/t9-/m1/s1.
What are the key properties of (6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
(6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 318.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 95196424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).