6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide

C19H21FN4O — CID 131894201

IUPAC6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2cncn2CC(C)C)c2cc(F)ccc2n1
InChIInChI=1S/C19H21FN4O/c1-12(2)10-24-11-21-8-15(24)9-22-19(25)17-6-13(3)23-18-5-4-14(20)7-16(17)18/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)
InChIKeyVRNYKLPOIJAYEM-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.46
Rot. Bonds5

About 6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide

6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide (PubChem CID 131894201) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide
PubChem CID131894201
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCc2cncn2CC(C)C)c2cc(F)ccc2n1
InChIInChI=1S/C19H21FN4O/c1-12(2)10-24-11-21-8-15(24)9-22-19(25)17-6-13(3)23-18-5-4-14(20)7-16(17)18/h4-8,11-12H,9-10H2,1-3H3,(H,22,25)
InChIKeyVRNYKLPOIJAYEM-UHFFFAOYSA-N
XLogP3.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 50953394
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
3-hydroxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyridine-4-carboxamide
CID 90649146
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
2-[(6-fluoro-2-methylquinoline-4-carbonyl)amino]pentanedioic acid
CID 108789630
3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
CID 119070135
6-fluoro-N'-(4-fluorobenzoyl)-2-methylquinoline-4-carbohydrazide
CID 4732337
3-(2,5-dimethyl-1H-imidazol-4-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide;formic acid
CID 154908951
N-[5-(diethylamino)pentan-2-yl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 42750300
6-fluoro-2-methyl-N'-phenylquinoline-4-carbohydrazide
CID 4732291
6-fluoro-2-methyl-N'-(2-phenylacetyl)quinoline-4-carbohydrazide
CID 4732359
3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
CID 118763050

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide (CID 131894201) is 6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCc2cncn2CC(C)C)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide?
The InChIKey is VRNYKLPOIJAYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-12(2)10-24-11-21-8-15(24)9-22-19(25)17-6-13(3)23-18-5-4-14(20)7-16(17)18/h4-8,11-12H,9-10H2,1-3H3,(H,22,25).
What are the key properties of 6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide?
6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 131894201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).