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

C23H25N3O — CID 15990875

IUPACN-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NC3CCCC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C23H25N3O/c1-15-11-12-20(16(2)13-15)25-22-14-19(18-9-5-6-10-21(18)26-22)23(27)24-17-7-3-4-8-17/h5-6,9-14,17H,3-4,7-8H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyXYGBMKOTCFPFTD-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.27
Rot. Bonds4

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

N-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide (PubChem CID 15990875) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
PubChem CID15990875
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NC3CCCC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C23H25N3O/c1-15-11-12-20(16(2)13-15)25-22-14-19(18-9-5-6-10-21(18)26-22)23(27)24-17-7-3-4-8-17/h5-6,9-14,17H,3-4,7-8H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyXYGBMKOTCFPFTD-UHFFFAOYSA-N
XLogP5.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide (CID 15990875) is N-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NC3CCCC3)c3ccccc3n2)c(C)c1.
What is the InChIKey of N-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide?
The InChIKey is XYGBMKOTCFPFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-15-11-12-20(16(2)13-15)25-22-14-19(18-9-5-6-10-21(18)26-22)23(27)24-17-7-3-4-8-17/h5-6,9-14,17H,3-4,7-8H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide?
N-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,4-dimethylanilino)quinoline-4-carboxamide is sourced from PubChem (CID 15990875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).