N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide

C24H25FN2O — CID 42750152

IUPACN-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCCC3)c3cc(F)ccc3n2)cc1C
InChIInChI=1S/C24H25FN2O/c1-15-8-9-17(12-16(15)2)23-14-21(20-13-18(25)10-11-22(20)27-23)24(28)26-19-6-4-3-5-7-19/h8-14,19H,3-7H2,1-2H3,(H,26,28)
InChIKeyMWXUDPFWHLUENJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.72
Rot. Bonds3

About N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide

N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide (PubChem CID 42750152) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide
PubChem CID42750152
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC NameN-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCCC3)c3cc(F)ccc3n2)cc1C
InChIInChI=1S/C24H25FN2O/c1-15-8-9-17(12-16(15)2)23-14-21(20-13-18(25)10-11-22(20)27-23)24(28)26-19-6-4-3-5-7-19/h8-14,19H,3-7H2,1-2H3,(H,26,28)
InChIKeyMWXUDPFWHLUENJ-UHFFFAOYSA-N
XLogP5.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide
CID 42749913
1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 42750169
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
6-bromo-2-(4-tert-butylphenyl)-N-cyclooctylquinoline-4-carboxamide
CID 3361283
2-(3,4-dimethylphenyl)-6-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 42749696
N-cyclohexyl-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323629
N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
CID 119476850
N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 4287408
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431
6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-piperidin-4-ylquinoline-4-carboxamide
CID 155559458
N-cyclopentyl-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803305

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide (CID 42750152) is N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CCCCC3)c3cc(F)ccc3n2)cc1C.
What is the InChIKey of N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide?
The InChIKey is MWXUDPFWHLUENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-15-8-9-17(12-16(15)2)23-14-21(20-13-18(25)10-11-22(20)27-23)24(28)26-19-6-4-3-5-7-19/h8-14,19H,3-7H2,1-2H3,(H,26,28).
What are the key properties of N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide?
N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carboxamide is sourced from PubChem (CID 42750152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).