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

C30H36N2O — CID 4176250

IUPACN,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C30H36N2O/c1-21-17-18-25(22(2)19-21)29-20-27(26-15-9-10-16-28(26)31-29)30(33)32(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h9-10,15-20,23-24H,3-8,11-14H2,1-2H3
InChIKeyUSOKQRMUPYMTDV-UHFFFAOYSA-N
MW440.63 g/mol
LogP7.63
Rot. Bonds4

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

N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide (PubChem CID 4176250) has the molecular formula C30H36N2O and a molecular weight of 440.63 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
PubChem CID4176250
Molecular FormulaC30H36N2O
Molecular Weight440.63 g/mol
Exact Mass440.28
IUPAC NameN,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)c3ccccc3n2)c(C)c1
InChIInChI=1S/C30H36N2O/c1-21-17-18-25(22(2)19-21)29-20-27(26-15-9-10-16-28(26)31-29)30(33)32(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h9-10,15-20,23-24H,3-8,11-14H2,1-2H3
InChIKeyUSOKQRMUPYMTDV-UHFFFAOYSA-N
XLogP7.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The IUPAC name of N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide (CID 4176250) is N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)c3ccccc3n2)c(C)c1.
What is the InChIKey of N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
The InChIKey is USOKQRMUPYMTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O/c1-21-17-18-25(22(2)19-21)29-20-27(26-15-9-10-16-28(26)31-29)30(33)32(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h9-10,15-20,23-24H,3-8,11-14H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide?
N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide has a molecular weight of 440.63 g/mol, XLogP of 7.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4176250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).