N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide

C28H28F2N4O — CID 142567260

IUPACN-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide
SMILESCc1c(Cc2ccc(-c3cnn(C)c3)c(F)c2F)cc(C(=O)NC2CCCCC2)c2ncccc12
InChIInChI=1S/C28H28F2N4O/c1-17-19(13-18-10-11-23(26(30)25(18)29)20-15-32-34(2)16-20)14-24(27-22(17)9-6-12-31-27)28(35)33-21-7-4-3-5-8-21/h6,9-12,14-16,21H,3-5,7-8,13H2,1-2H3,(H,33,35)
InChIKeyIFRJDUQDCWOEIZ-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.88
Rot. Bonds5

About N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide

N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide (PubChem CID 142567260) has the molecular formula C28H28F2N4O and a molecular weight of 474.56 g/mol. Its IUPAC name is N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide
PubChem CID142567260
Molecular FormulaC28H28F2N4O
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC NameN-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide
SMILESCc1c(Cc2ccc(-c3cnn(C)c3)c(F)c2F)cc(C(=O)NC2CCCCC2)c2ncccc12
InChIInChI=1S/C28H28F2N4O/c1-17-19(13-18-10-11-23(26(30)25(18)29)20-15-32-34(2)16-20)14-24(27-22(17)9-6-12-31-27)28(35)33-21-7-4-3-5-8-21/h6,9-12,14-16,21H,3-5,7-8,13H2,1-2H3,(H,33,35)
InChIKeyIFRJDUQDCWOEIZ-UHFFFAOYSA-N
XLogP5.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide with MolForge

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Related Compounds

1-fluoro-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)naphthalene-2-carboxamide
CID 118266817
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 119032835
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772163
N-[(1S,2S)-2-hydroxycyclohexyl]-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-oxo-1,6-naphthyridine-8-carboxamide
CID 162772225
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-6-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]quinoline-8-carboxamide
CID 146503242
N-[(1R,2R)-2-hydroxycyclohexyl]-3,7-dimethyl-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzimidazole-4-carboxamide
CID 155133238
N-[(1S,2S)-2-hydroxycyclohexyl]-3,7-dimethyl-6-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzimidazole-4-carboxamide
CID 155125003
N-cyclohexyl-4-fluoro-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-3-carboxamide
CID 123838231
5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
N-cyclopentyl-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 160652856
2-cyclopentyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121022795
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide?
The IUPAC name of N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide (CID 142567260) is N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide is Cc1c(Cc2ccc(-c3cnn(C)c3)c(F)c2F)cc(C(=O)NC2CCCCC2)c2ncccc12.
What is the InChIKey of N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide?
The InChIKey is IFRJDUQDCWOEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N4O/c1-17-19(13-18-10-11-23(26(30)25(18)29)20-15-32-34(2)16-20)14-24(27-22(17)9-6-12-31-27)28(35)33-21-7-4-3-5-8-21/h6,9-12,14-16,21H,3-5,7-8,13H2,1-2H3,(H,33,35).
What are the key properties of N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide?
N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[[2,3-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylquinoline-8-carboxamide is sourced from PubChem (CID 142567260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).