N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide

C31H26N2O — CID 3975815

IUPACN-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C31H26N2O/c34-31(32-21-20-26(23-12-4-1-5-13-23)24-14-6-2-7-15-24)28-22-30(25-16-8-3-9-17-25)33-29-19-11-10-18-27(28)29/h1-19,22,26H,20-21H2,(H,32,34)
InChIKeyFMBRFJQVLMKTHL-UHFFFAOYSA-N
MW442.56 g/mol
LogP6.85
Rot. Bonds7

About N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide

N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide (PubChem CID 3975815) has the molecular formula C31H26N2O and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
PubChem CID3975815
Molecular FormulaC31H26N2O
Molecular Weight442.56 g/mol
Exact Mass442.20
IUPAC NameN-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C31H26N2O/c34-31(32-21-20-26(23-12-4-1-5-13-23)24-14-6-2-7-15-24)28-22-30(25-16-8-3-9-17-25)33-29-19-11-10-18-27(28)29/h1-19,22,26H,20-21H2,(H,32,34)
InChIKeyFMBRFJQVLMKTHL-UHFFFAOYSA-N
XLogP6.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 3397561
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
CID 8991107
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 10714925

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide (CID 3975815) is N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is FMBRFJQVLMKTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O/c34-31(32-21-20-26(23-12-4-1-5-13-23)24-14-6-2-7-15-24)28-22-30(25-16-8-3-9-17-25)33-29-19-11-10-18-27(28)29/h1-19,22,26H,20-21H2,(H,32,34).
What are the key properties of N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide?
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 6.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3975815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).