1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide

C24H25FN2O3 — CID 174655699

IUPAC1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide
SMILESCc1cccc2c1c(=O)c(C(N)=O)cn2-c1cc(O)c(C2(C)CCCCC2)cc1F
InChIInChI=1S/C24H25FN2O3/c1-14-7-6-8-18-21(14)22(29)15(23(26)30)13-27(18)19-12-20(28)16(11-17(19)25)24(2)9-4-3-5-10-24/h6-8,11-13,28H,3-5,9-10H2,1-2H3,(H2,26,30)
InChIKeyFCNXQZGXUPYINP-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.46
Rot. Bonds3

About 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide

1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 174655699) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide
PubChem CID174655699
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC Name1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide
SMILESCc1cccc2c1c(=O)c(C(N)=O)cn2-c1cc(O)c(C2(C)CCCCC2)cc1F
InChIInChI=1S/C24H25FN2O3/c1-14-7-6-8-18-21(14)22(29)15(23(26)30)13-27(18)19-12-20(28)16(11-17(19)25)24(2)9-4-3-5-10-24/h6-8,11-13,28H,3-5,9-10H2,1-2H3,(H2,26,30)
InChIKeyFCNXQZGXUPYINP-UHFFFAOYSA-N
XLogP4.46
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide
CID 174667346
5-amino-4-fluoro-2-(1-methylcycloheptyl)phenol
CID 87842853
5-amino-4-fluoro-2-(1-methylcyclohexyl)phenol
CID 57470221
1-[2-fluoro-5-hydroxy-4-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide
CID 174667339
N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87101825
9-ethyl-5-methylcarbazole-4-carboxamide
CID 59934194
1-(3-fluoro-4-hydroxyphenyl)-5,6,7-trimethoxy-4-oxoquinoline-3-carboxamide
CID 155660331
2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
CID 117298959
4-fluoro-1-methyl-2-(1-methylcyclohexyl)benzene
CID 123739587
5-amino-1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxamide
CID 82212701
5-(4-fluoro-2-methylphenyl)-1-methyl-4-oxopyridine-3-carboxamide
CID 175770961
4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid
CID 139839146

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide (CID 174655699) is 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide is Cc1cccc2c1c(=O)c(C(N)=O)cn2-c1cc(O)c(C2(C)CCCCC2)cc1F.
What is the InChIKey of 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is FCNXQZGXUPYINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-14-7-6-8-18-21(14)22(29)15(23(26)30)13-27(18)19-12-20(28)16(11-17(19)25)24(2)9-4-3-5-10-24/h6-8,11-13,28H,3-5,9-10H2,1-2H3,(H2,26,30).
What are the key properties of 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide?
1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-5-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 174655699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).