(4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

C18H19FN4O2 — CID 97149530

IUPAC(4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)[C@H]1CC(=O)Nc2ccc(F)cc21
InChIInChI=1S/C18H19FN4O2/c1-23(9-16-11-3-2-4-15(11)21-22-16)18(25)13-8-17(24)20-14-6-5-10(19)7-12(13)14/h5-7,13H,2-4,8-9H2,1H3,(H,20,24)(H,21,22)/t13-/m0/s1
InChIKeyKZSNGSKMDPLNQX-ZDUSSCGKSA-N
MW342.37 g/mol
LogP2.12
Rot. Bonds3

About (4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 97149530) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is (4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID97149530
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name(4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)[C@H]1CC(=O)Nc2ccc(F)cc21
InChIInChI=1S/C18H19FN4O2/c1-23(9-16-11-3-2-4-15(11)21-22-16)18(25)13-8-17(24)20-14-6-5-10(19)7-12(13)14/h5-7,13H,2-4,8-9H2,1H3,(H,20,24)(H,21,22)/t13-/m0/s1
InChIKeyKZSNGSKMDPLNQX-ZDUSSCGKSA-N
XLogP2.12
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

(4S)-6-fluoro-N-(isoquinolin-5-ylmethyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97131542
(4S)-N-[(2,4-dimethylphenyl)methyl]-7-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 32896131
N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70752414
(4S)-7-fluoro-N-[(2-methoxyphenyl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434660
2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 50967991
7-fluoro-N-methyl-2-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 47021219
1-[(3-fluorophenyl)methyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 56715379
5-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221762
6-fluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70735481
3-[(1S)-1-(4-fluorophenyl)ethyl]-1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methylurea
CID 126439991
7-fluoro-N-methyl-2-oxo-N-[(4-prop-2-enoxyphenyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46577762
(4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97126877

Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 97149530) is (4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is CN(Cc1n[nH]c2c1CCC2)C(=O)[C@H]1CC(=O)Nc2ccc(F)cc21.
What is the InChIKey of (4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is KZSNGSKMDPLNQX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-23(9-16-11-3-2-4-15(11)21-22-16)18(25)13-8-17(24)20-14-6-5-10(19)7-12(13)14/h5-7,13H,2-4,8-9H2,1H3,(H,20,24)(H,21,22)/t13-/m0/s1.
What are the key properties of (4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97149530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).