3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide

C28H28N2O — CID 4282482

IUPAC3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide
SMILESCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C28H28N2O/c1-3-23-26(28(31)29-20(2)18-19-21-12-6-4-7-13-21)24-16-10-11-17-25(24)30-27(23)22-14-8-5-9-15-22/h4-17,20H,3,18-19H2,1-2H3,(H,29,31)
InChIKeyPIFOYEWNCBCGMQ-UHFFFAOYSA-N
MW408.55 g/mol
LogP6.22
Rot. Bonds7

About 3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide

3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide (PubChem CID 4282482) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide
PubChem CID4282482
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC Name3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide
SMILESCCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C28H28N2O/c1-3-23-26(28(31)29-20(2)18-19-21-12-6-4-7-13-21)24-16-10-11-17-25(24)30-27(23)22-14-8-5-9-15-22/h4-17,20H,3,18-19H2,1-2H3,(H,29,31)
InChIKeyPIFOYEWNCBCGMQ-UHFFFAOYSA-N
XLogP6.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-amino-3-phenylpropoxy)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;hydrochloride
CID 174403514
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
2,6-difluoro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 2566393
3-(methylsulfinylmethyl)-2-phenyl-N-(3-phenylpropyl)quinoline-4-carboxamide
CID 69292079
N-benzyl-3-(methylsulfanylmethyl)-2-phenylquinoline-4-carboxamide;ethane
CID 143429008
3-ethyl-7-fluoro-2-phenylquinoline-4-carboxylic acid
CID 43823131
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 51981540
3,5-dimethyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 17218078
3-methyl-N-(4-phenylbutan-2-yl)-1,2,4-thiadiazole-5-carboxamide
CID 71807160
N-(2-cyano-1-phenylethyl)-3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxamide
CID 71206675

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide (CID 4282482) is 3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide is CCc1c(-c2ccccc2)nc2ccccc2c1C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide?
The InChIKey is PIFOYEWNCBCGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O/c1-3-23-26(28(31)29-20(2)18-19-21-12-6-4-7-13-21)24-16-10-11-17-25(24)30-27(23)22-14-8-5-9-15-22/h4-17,20H,3,18-19H2,1-2H3,(H,29,31).
What are the key properties of 3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide?
3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-phenyl-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 4282482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).