1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide

C20H19FN2O4 — CID 174655680

IUPAC1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESCC(CO)(CO)c1ccc(-n2cc(C(N)=O)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C20H19FN2O4/c1-20(10-24,11-25)12-2-5-14(6-3-12)23-9-16(19(22)27)18(26)15-8-13(21)4-7-17(15)23/h2-9,24-25H,10-11H2,1H3,(H2,22,27)
InChIKeyHSEOXRONCMHQMH-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.47
Rot. Bonds5

About 1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide

1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide (PubChem CID 174655680) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is 1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide
PubChem CID174655680
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Name1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide
SMILESCC(CO)(CO)c1ccc(-n2cc(C(N)=O)c(=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C20H19FN2O4/c1-20(10-24,11-25)12-2-5-14(6-3-12)23-9-16(19(22)27)18(26)15-8-13(21)4-7-17(15)23/h2-9,24-25H,10-11H2,1H3,(H2,22,27)
InChIKeyHSEOXRONCMHQMH-UHFFFAOYSA-N
XLogP1.47
TPSA105.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-4-oxo-1-[4-(4-oxobutan-2-yl)phenyl]quinoline-3-carboxamide
CID 174667318
1-(4-fluorophenyl)-4-oxo-6-(2-pyridin-3-ylpiperidin-1-yl)quinoline-3-carboxamide
CID 121447898
1-(4-fluorophenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide;methanesulfonic acid;hydrate
CID 88616639
ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate
CID 70395461
1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 143136205
6-[[(3,3-difluorocyclobutyl)-methylamino]methyl]-8-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxamide
CID 121447880
6-[(4,4-difluoropiperidin-1-yl)methyl]-8-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxamide
CID 121447936
1-[4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl]-4-oxoquinoline-3-carboxamide
CID 174667324
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 139890801
6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133154
7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 10430164
N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133811

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide (CID 174655680) is 1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide is CC(CO)(CO)c1ccc(-n2cc(C(N)=O)c(=O)c3cc(F)ccc32)cc1.
What is the InChIKey of 1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide?
The InChIKey is HSEOXRONCMHQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-20(10-24,11-25)12-2-5-14(6-3-12)23-9-16(19(22)27)18(26)15-8-13(21)4-7-17(15)23/h2-9,24-25H,10-11H2,1H3,(H2,22,27).
What are the key properties of 1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide?
1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-dihydroxy-2-methylpropan-2-yl)phenyl]-6-fluoro-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 174655680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).