1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide

C24H24FN3O3 — CID 155106826

IUPAC1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide
SMILESNC(=O)c1ccc(Cn2cc(C(=O)NC3CCCC[C@@H]3F)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H24FN3O3/c25-19-6-2-3-7-20(19)27-24(31)18-14-28(21-8-4-1-5-17(21)22(18)29)13-15-9-11-16(12-10-15)23(26)30/h1,4-5,8-12,14,19-20H,2-3,6-7,13H2,(H2,26,30)(H,27,31)/t19-,20?/m0/s1
InChIKeyLQFLCLKEGROZKJ-XJDOXCRVSA-N
MW421.47 g/mol
LogP3.16
Rot. Bonds5

About 1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide

1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide (PubChem CID 155106826) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide
PubChem CID155106826
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide
SMILESNC(=O)c1ccc(Cn2cc(C(=O)NC3CCCC[C@@H]3F)c(=O)c3ccccc32)cc1
InChIInChI=1S/C24H24FN3O3/c25-19-6-2-3-7-20(19)27-24(31)18-14-28(21-8-4-1-5-17(21)22(18)29)13-15-9-11-16(12-10-15)23(26)30/h1,4-5,8-12,14,19-20H,2-3,6-7,13H2,(H2,26,30)(H,27,31)/t19-,20?/m0/s1
InChIKeyLQFLCLKEGROZKJ-XJDOXCRVSA-N
XLogP3.16
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 71462946
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
4-[(3-acetyl-4-oxoquinolin-1-yl)methyl]benzoic acid
CID 122188097
1-[(4-carbamoylphenyl)methyl]-4-fluoro-N-(oxan-4-yl)indole-3-carboxamide
CID 123766771
4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]benzamide
CID 10181188
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 122188100
1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide
CID 155949410
4-fluoro-1-[(4-fluorophenyl)methyl]-N-(3-fluoropiperidin-4-yl)indole-3-carboxamide;hydrochloride
CID 126674071
1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide
CID 97243081
1-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-4-oxoquinoline-3-carboxamide
CID 97329350
1-benzyl-N-cyclohexyl-4-fluoroindole-3-carboxamide
CID 123211573
1-[(4-chlorophenyl)methyl]-4-oxo-N-pyridin-2-ylquinoline-3-carboxamide
CID 118055361

Frequently Asked Questions

What is the IUPAC name of 1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide (CID 155106826) is 1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide is NC(=O)c1ccc(Cn2cc(C(=O)NC3CCCC[C@@H]3F)c(=O)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is LQFLCLKEGROZKJ-XJDOXCRVSA-N. The full InChI is InChI=1S/C24H24FN3O3/c25-19-6-2-3-7-20(19)27-24(31)18-14-28(21-8-4-1-5-17(21)22(18)29)13-15-9-11-16(12-10-15)23(26)30/h1,4-5,8-12,14,19-20H,2-3,6-7,13H2,(H2,26,30)(H,27,31)/t19-,20?/m0/s1.
What are the key properties of 1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide?
1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 421.47 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-carbamoylphenyl)methyl]-N-[(2S)-2-fluorocyclohexyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 155106826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).