N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide

C25H21FN2O — CID 7237810

IUPACN-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C25H21FN2O/c1-17-14-22(21-16-20(26)12-13-23(21)27-17)25(29)28-24(19-10-6-3-7-11-19)15-18-8-4-2-5-9-18/h2-14,16,24H,15H2,1H3,(H,28,29)/t24-/m0/s1
InChIKeyKGYURYZZZWRHNG-DEOSSOPVSA-N
MW384.45 g/mol
LogP5.40
Rot. Bonds5

About N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide

N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 7237810) has the molecular formula C25H21FN2O and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide
PubChem CID7237810
Molecular FormulaC25H21FN2O
Molecular Weight384.45 g/mol
Exact Mass384.16
IUPAC NameN-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C25H21FN2O/c1-17-14-22(21-16-20(26)12-13-23(21)27-17)25(29)28-24(19-10-6-3-7-11-19)15-18-8-4-2-5-9-18/h2-14,16,24H,15H2,1H3,(H,28,29)/t24-/m0/s1
InChIKeyKGYURYZZZWRHNG-DEOSSOPVSA-N
XLogP5.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.45
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42659190
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide
CID 93097670
6-fluoro-2-methyl-N'-(2-phenylacetyl)quinoline-4-carbohydrazide
CID 4732359
N-(2-hydroxy-1-phenylethyl)-6-methoxy-2-methylquinoline-4-carboxamide
CID 110001393
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid
CID 108789630
6-fluoro-2-methyl-N'-phenylquinoline-4-carbohydrazide
CID 4732291
N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
CID 70742212
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 42750300
6-fluoro-2-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4732250
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 42659177
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide (CID 7237810) is N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c2cc(F)ccc2n1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is KGYURYZZZWRHNG-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H21FN2O/c1-17-14-22(21-16-20(26)12-13-23(21)27-17)25(29)28-24(19-10-6-3-7-11-19)15-18-8-4-2-5-9-18/h2-14,16,24H,15H2,1H3,(H,28,29)/t24-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide?
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 7237810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).