7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide

C17H17FN2O2 — CID 111661805

IUPAC7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c2ccc(F)cc2n1
InChIInChI=1S/C17H17FN2O2/c1-10-6-15(14-5-3-12(18)8-16(14)19-10)17(22)20-13-4-2-11(7-13)9-21/h2-6,8,11,13,21H,7,9H2,1H3,(H,20,22)/t11-,13+/m0/s1
InChIKeyGBCMGXFNUGVITK-WCQYABFASA-N
MW300.33 g/mol
LogP2.35
Rot. Bonds3

About 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide

7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide (PubChem CID 111661805) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide
PubChem CID111661805
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c2ccc(F)cc2n1
InChIInChI=1S/C17H17FN2O2/c1-10-6-15(14-5-3-12(18)8-16(14)19-10)17(22)20-13-4-2-11(7-13)9-21/h2-6,8,11,13,21H,7,9H2,1H3,(H,20,22)/t11-,13+/m0/s1
InChIKeyGBCMGXFNUGVITK-WCQYABFASA-N
XLogP2.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 111696910
2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661638
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
7-fluoro-2-methyl-N-(3-methylsulfanylcyclohexyl)quinoline-4-carboxamide
CID 86965984
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 56812131
5-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzofuran-2-carboxamide
CID 111697167
7-fluoro-2-methyl-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]quinoline-4-carboxamide
CID 96575727
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 55879301
1-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 75402965
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide
CID 111486130
7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 131917230
N-(3-acetylphenyl)-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422715

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide (CID 111661805) is 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)N[C@@H]2C=C[C@H](CO)C2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide?
The InChIKey is GBCMGXFNUGVITK-WCQYABFASA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-10-6-15(14-5-3-12(18)8-16(14)19-10)17(22)20-13-4-2-11(7-13)9-21/h2-6,8,11,13,21H,7,9H2,1H3,(H,20,22)/t11-,13+/m0/s1.
What are the key properties of 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide?
7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide has a molecular weight of 300.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 111661805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).