N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide

C27H26N2O — CID 3417174

IUPACN-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C27H26N2O/c1-4-19-14-11-15-20(5-2)26(19)29-27(30)24-18(3)25(21-12-7-6-8-13-21)28-23-17-10-9-16-22(23)24/h6-17H,4-5H2,1-3H3,(H,29,30)
InChIKeyUOIJUHRQSHSWAO-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.59
Rot. Bonds5

About N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide

N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 3417174) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
PubChem CID3417174
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC NameN-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C27H26N2O/c1-4-19-14-11-15-20(5-2)26(19)29-27(30)24-18(3)25(21-12-7-6-8-13-21)28-23-17-10-9-16-22(23)24/h6-17H,4-5H2,1-3H3,(H,29,30)
InChIKeyUOIJUHRQSHSWAO-UHFFFAOYSA-N
XLogP6.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide (CID 3417174) is N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide is CCc1cccc(CC)c1NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is UOIJUHRQSHSWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-4-19-14-11-15-20(5-2)26(19)29-27(30)24-18(3)25(21-12-7-6-8-13-21)28-23-17-10-9-16-22(23)24/h6-17H,4-5H2,1-3H3,(H,29,30).
What are the key properties of N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide?
N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3417174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).