N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide

C25H26FN3O2 — CID 55879301

IUPACN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)c2ccc(F)cc2n1
InChIInChI=1S/C25H26FN3O2/c1-15-12-17(24(30)28-19-6-4-3-5-7-19)8-11-22(15)29-25(31)21-13-16(2)27-23-14-18(26)9-10-20(21)23/h8-14,19H,3-7H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyCSAXXGAVDVFGKO-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.31
Rot. Bonds4

About N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide

N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 55879301) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
PubChem CID55879301
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)c2ccc(F)cc2n1
InChIInChI=1S/C25H26FN3O2/c1-15-12-17(24(30)28-19-6-4-3-5-7-19)8-11-22(15)29-25(31)21-13-16(2)27-23-14-18(26)9-10-20(21)23/h8-14,19H,3-7H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyCSAXXGAVDVFGKO-UHFFFAOYSA-N
XLogP5.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
6-chloro-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-methylquinoline-3-carboxamide
CID 55879934
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772
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
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-benzothiophene-3-carboxamide
CID 112846041
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-cyclohexyl-4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-methylbenzamide
CID 55879674
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
methyl 2,4-difluoro-5-[(7-fluoro-2-methylquinoline-4-carbonyl)amino]benzoate
CID 39119523

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide (CID 55879301) is N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)c2ccc(F)cc2n1.
What is the InChIKey of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is CSAXXGAVDVFGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-15-12-17(24(30)28-19-6-4-3-5-7-19)8-11-22(15)29-25(31)21-13-16(2)27-23-14-18(26)9-10-20(21)23/h8-14,19H,3-7H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide?
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-7-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 55879301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).