N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide

C30H36N2O2 — CID 3348119

IUPACN,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)N(C3CCCCC3)C3CCCCC3)c2C)cc1
InChIInChI=1S/C30H36N2O2/c1-21-28(30(33)32(23-11-5-3-6-12-23)24-13-7-4-8-14-24)26-15-9-10-16-27(26)31-29(21)22-17-19-25(34-2)20-18-22/h9-10,15-20,23-24H,3-8,11-14H2,1-2H3
InChIKeyQWWWYPNVYNEJEO-UHFFFAOYSA-N
MW456.63 g/mol
LogP7.33
Rot. Bonds5

About N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide

N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide (PubChem CID 3348119) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
PubChem CID3348119
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC NameN,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)N(C3CCCCC3)C3CCCCC3)c2C)cc1
InChIInChI=1S/C30H36N2O2/c1-21-28(30(33)32(23-11-5-3-6-12-23)24-13-7-4-8-14-24)26-15-9-10-16-27(26)31-29(21)22-17-19-25(34-2)20-18-22/h9-10,15-20,23-24H,3-8,11-14H2,1-2H3
InChIKeyQWWWYPNVYNEJEO-UHFFFAOYSA-N
XLogP7.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The IUPAC name of N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide (CID 3348119) is N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide is COc1ccc(-c2nc3ccccc3c(C(=O)N(C3CCCCC3)C3CCCCC3)c2C)cc1.
What is the InChIKey of N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The InChIKey is QWWWYPNVYNEJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-21-28(30(33)32(23-11-5-3-6-12-23)24-13-7-4-8-14-24)26-15-9-10-16-27(26)31-29(21)22-17-19-25(34-2)20-18-22/h9-10,15-20,23-24H,3-8,11-14H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide has a molecular weight of 456.63 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 3348119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).