7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide

C18H19FN4O — CID 96573373

IUPAC7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide
SMILESCC[C@H](Cn1ccnc1)NC(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C18H19FN4O/c1-3-14(10-23-7-6-20-11-23)22-18(24)16-8-12(2)21-17-9-13(19)4-5-15(16)17/h4-9,11,14H,3,10H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyROXJAAOHZCDEFO-CQSZACIVSA-N
MW326.38 g/mol
LogP3.09
Rot. Bonds5

About 7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide

7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide (PubChem CID 96573373) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide
PubChem CID96573373
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide
SMILESCC[C@H](Cn1ccnc1)NC(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C18H19FN4O/c1-3-14(10-23-7-6-20-11-23)22-18(24)16-8-12(2)21-17-9-13(19)4-5-15(16)17/h4-9,11,14H,3,10H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyROXJAAOHZCDEFO-CQSZACIVSA-N
XLogP3.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide with MolForge

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Related Compounds

1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
CID 118790076
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-7-methoxy-2-methylquinoline-4-carboxamide
CID 131905635
2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide
CID 91778772
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 95556331
N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide
CID 56744427
1-(2,3-dimethylquinoxalin-6-yl)-3-[(2S)-1-imidazol-1-ylbutan-2-yl]urea
CID 97284208
7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
CID 55607345
(7-fluoro-2-methylquinolin-4-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70748469
N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
CID 131918177
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 37426486
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide (CID 96573373) is 7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide is CC[C@H](Cn1ccnc1)NC(=O)c1cc(C)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide?
The InChIKey is ROXJAAOHZCDEFO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-3-14(10-23-7-6-20-11-23)22-18(24)16-8-12(2)21-17-9-13(19)4-5-15(16)17/h4-9,11,14H,3,10H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of 7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide?
7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(2R)-1-imidazol-1-ylbutan-2-yl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 96573373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).