7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide

C33H36N2O — CID 58064485

IUPAC7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(C(=O)NCCc5ccccc5)cc(C)nc4c3)cc2)CC1
InChIInChI=1S/C33H36N2O/c1-3-24-9-11-26(12-10-24)27-13-15-28(16-14-27)29-17-18-30-31(21-23(2)35-32(30)22-29)33(36)34-20-19-25-7-5-4-6-8-25/h4-8,13-18,21-22,24,26H,3,9-12,19-20H2,1-2H3,(H,34,36)
InChIKeyOOFAKIJXFXARSK-UHFFFAOYSA-N
MW476.66 g/mol
LogP7.87
Rot. Bonds7

About 7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide

7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide (PubChem CID 58064485) has the molecular formula C33H36N2O and a molecular weight of 476.66 g/mol. Its IUPAC name is 7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
PubChem CID58064485
Molecular FormulaC33H36N2O
Molecular Weight476.66 g/mol
Exact Mass476.28
IUPAC Name7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(C(=O)NCCc5ccccc5)cc(C)nc4c3)cc2)CC1
InChIInChI=1S/C33H36N2O/c1-3-24-9-11-26(12-10-24)27-13-15-28(16-14-27)29-17-18-30-31(21-23(2)35-32(30)22-29)33(36)34-20-19-25-7-5-4-6-8-25/h4-8,13-18,21-22,24,26H,3,9-12,19-20H2,1-2H3,(H,34,36)
InChIKeyOOFAKIJXFXARSK-UHFFFAOYSA-N
XLogP7.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide (CID 58064485) is 7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide is CCC1CCC(c2ccc(-c3ccc4c(C(=O)NCCc5ccccc5)cc(C)nc4c3)cc2)CC1.
What is the InChIKey of 7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide?
The InChIKey is OOFAKIJXFXARSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O/c1-3-24-9-11-26(12-10-24)27-13-15-28(16-14-27)29-17-18-30-31(21-23(2)35-32(30)22-29)33(36)34-20-19-25-7-5-4-6-8-25/h4-8,13-18,21-22,24,26H,3,9-12,19-20H2,1-2H3,(H,34,36).
What are the key properties of 7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide?
7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide has a molecular weight of 476.66 g/mol, XLogP of 7.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 58064485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).