N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide

C24H27N3O — CID 15990902

IUPACN-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NC3CCCCC3)c3ccccc3n2)c1
InChIInChI=1S/C24H27N3O/c1-16-12-17(2)14-19(13-16)25-23-15-21(20-10-6-7-11-22(20)27-23)24(28)26-18-8-4-3-5-9-18/h6-7,10-15,18H,3-5,8-9H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQLAISQDDAOJLDJ-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.66
Rot. Bonds4

About N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide

N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide (PubChem CID 15990902) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
PubChem CID15990902
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NC3CCCCC3)c3ccccc3n2)c1
InChIInChI=1S/C24H27N3O/c1-16-12-17(2)14-19(13-16)25-23-15-21(20-10-6-7-11-22(20)27-23)24(28)26-18-8-4-3-5-9-18/h6-7,10-15,18H,3-5,8-9H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQLAISQDDAOJLDJ-UHFFFAOYSA-N
XLogP5.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide (CID 15990902) is N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide is Cc1cc(C)cc(Nc2cc(C(=O)NC3CCCCC3)c3ccccc3n2)c1.
What is the InChIKey of N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide?
The InChIKey is QLAISQDDAOJLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-16-12-17(2)14-19(13-16)25-23-15-21(20-10-6-7-11-22(20)27-23)24(28)26-18-8-4-3-5-9-18/h6-7,10-15,18H,3-5,8-9H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide?
N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide is sourced from PubChem (CID 15990902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).