N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

C29H24FN3O — CID 42659190

IUPACN-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NC(Cc2ccccc2)c2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C29H24FN3O/c1-33-16-8-13-28(33)27-19-24(23-18-22(30)14-15-25(23)31-27)29(34)32-26(21-11-6-3-7-12-21)17-20-9-4-2-5-10-20/h2-16,18-19,26H,17H2,1H3,(H,32,34)
InChIKeyWSKBTTNQPRJPDQ-UHFFFAOYSA-N
MW449.53 g/mol
LogP6.09
Rot. Bonds6

About N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (PubChem CID 42659190) has the molecular formula C29H24FN3O and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
PubChem CID42659190
Molecular FormulaC29H24FN3O
Molecular Weight449.53 g/mol
Exact Mass449.19
IUPAC NameN-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NC(Cc2ccccc2)c2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C29H24FN3O/c1-33-16-8-13-28(33)27-19-24(23-18-22(30)14-15-25(23)31-27)29(34)32-26(21-11-6-3-7-12-21)17-20-9-4-2-5-10-20/h2-16,18-19,26H,17H2,1H3,(H,32,34)
InChIKeyWSKBTTNQPRJPDQ-UHFFFAOYSA-N
XLogP6.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750065
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 7237810
N-[(1S)-1,2-diphenylethyl]-6-fluoro-2-thiophen-2-ylquinoline-4-carboxamide
CID 93097670
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3959644
6-fluoro-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750100
6-fluoro-N-(2-fluorophenyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42750067
N-benzhydryl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 3616650
N-(1,2-diphenylethyl)-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4557755
(4-benzylpiperazin-1-yl)-[6-fluoro-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42750082
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 4563440
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 42659177
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 42749565

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide (CID 42659190) is N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is Cn1cccc1-c1cc(C(=O)NC(Cc2ccccc2)c2ccccc2)c2cc(F)ccc2n1.
What is the InChIKey of N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
The InChIKey is WSKBTTNQPRJPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3O/c1-33-16-8-13-28(33)27-19-24(23-18-22(30)14-15-25(23)31-27)29(34)32-26(21-11-6-3-7-12-21)17-20-9-4-2-5-10-20/h2-16,18-19,26H,17H2,1H3,(H,32,34).
What are the key properties of N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide?
N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-6-fluoro-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 42659190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).