N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide

C23H24N2O — CID 3667431

IUPACN-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C23H24N2O/c1-15-11-12-18(16(2)13-15)22-14-20(19-9-5-6-10-21(19)25-22)23(26)24-17-7-3-4-8-17/h5-6,9-14,17H,3-4,7-8H2,1-2H3,(H,24,26)
InChIKeyFTULMSXCMANNCR-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.19
Rot. Bonds3

About N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide

N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 3667431) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
PubChem CID3667431
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC NameN-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C23H24N2O/c1-15-11-12-18(16(2)13-15)22-14-20(19-9-5-6-10-21(19)25-22)23(26)24-17-7-3-4-8-17/h5-6,9-14,17H,3-4,7-8H2,1-2H3,(H,24,26)
InChIKeyFTULMSXCMANNCR-UHFFFAOYSA-N
XLogP5.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 4176250
N-cyclooctyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
CID 20854533
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
N-cyclohexyl-2-(2-fluorophenyl)-6-methylquinoline-4-carboxamide
CID 42749913
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 2886977
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
2-(2,4-dimethylphenyl)-N-(oxan-2-yloxy)quinoline-4-carboxamide
CID 60612986
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
[2-(2,4-dimethylphenyl)quinolin-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560497
N-cycloheptyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512639
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide (CID 3667431) is N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccc3n2)c(C)c1.
What is the InChIKey of N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is FTULMSXCMANNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-15-11-12-18(16(2)13-15)22-14-20(19-9-5-6-10-21(19)25-22)23(26)24-17-7-3-4-8-17/h5-6,9-14,17H,3-4,7-8H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3667431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).