7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C18H19FN4O3 — CID 167970882

IUPAC7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cc3c(cc2F)NC(=O)CC3)c1
InChIInChI=1S/C18H19FN4O3/c1-9-7-20-23(8-9)17-14(6-15(17)24)22-18(26)11-4-10-2-3-16(25)21-13(10)5-12(11)19/h4-5,7-8,14-15,17,24H,2-3,6H2,1H3,(H,21,25)(H,22,26)/t14-,15+,17+/m0/s1
InChIKeyIAAMHZWTHWRIJS-ZMSDIMECSA-N
MW358.37 g/mol
LogP1.32
Rot. Bonds3

About 7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 167970882) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID167970882
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cc3c(cc2F)NC(=O)CC3)c1
InChIInChI=1S/C18H19FN4O3/c1-9-7-20-23(8-9)17-14(6-15(17)24)22-18(26)11-4-10-2-3-16(25)21-13(10)5-12(11)19/h4-5,7-8,14-15,17,24H,2-3,6H2,1H3,(H,21,25)(H,22,26)/t14-,15+,17+/m0/s1
InChIKeyIAAMHZWTHWRIJS-ZMSDIMECSA-N
XLogP1.32
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]cyclooctane-1-carboxylic acid
CID 120532947
N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-methyl-1H-imidazole-5-carboxamide
CID 167972971
N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-6-methylpyridazine-4-carboxamide
CID 167973198
N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 154800864
N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 119044161
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 120534807
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457549
3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 120522203
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500030

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 167970882) is 7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is Cc1cnn([C@H]2[C@H](O)C[C@@H]2NC(=O)c2cc3c(cc2F)NC(=O)CC3)c1.
What is the InChIKey of 7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is IAAMHZWTHWRIJS-ZMSDIMECSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-9-7-20-23(8-9)17-14(6-15(17)24)22-18(26)11-4-10-2-3-16(25)21-13(10)5-12(11)19/h4-5,7-8,14-15,17,24H,2-3,6H2,1H3,(H,21,25)(H,22,26)/t14-,15+,17+/m0/s1.
What are the key properties of 7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 167970882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).