N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

C31H27N3O — CID 3397561

IUPACN-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)NCCC(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C31H27N3O/c1-22-12-13-29-27(20-22)28(21-30(34-29)25-14-17-32-18-15-25)31(35)33-19-16-26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,17-18,20-21,26H,16,19H2,1H3,(H,33,35)
InChIKeyCRFPTGCSXKKNCG-UHFFFAOYSA-N
MW457.58 g/mol
LogP6.56
Rot. Bonds7

About N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide

N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 3397561) has the molecular formula C31H27N3O and a molecular weight of 457.58 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID3397561
Molecular FormulaC31H27N3O
Molecular Weight457.58 g/mol
Exact Mass457.22
IUPAC NameN-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccncc3)cc(C(=O)NCCC(c3ccccc3)c3ccccc3)c2c1
InChIInChI=1S/C31H27N3O/c1-22-12-13-29-27(20-22)28(21-30(34-29)25-14-17-32-18-15-25)31(35)33-19-16-26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,17-18,20-21,26H,16,19H2,1H3,(H,33,35)
InChIKeyCRFPTGCSXKKNCG-UHFFFAOYSA-N
XLogP6.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
2-(2,4-dimethoxyphenyl)-N-(3,3-diphenylpropyl)-6-methylquinoline-4-carboxamide
CID 3967008
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
6-methyl-N,2-dipyridin-4-ylquinoline-4-carboxamide
CID 899146
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
2-(4-methoxyphenyl)-6-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 42749977
N-[(4-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 4309624
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220449
N-(3,4-dimethylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749800
6-methyl-N-(3-methylbutyl)-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide
CID 42749636

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 3397561) is N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccncc3)cc(C(=O)NCCC(c3ccccc3)c3ccccc3)c2c1.
What is the InChIKey of N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is CRFPTGCSXKKNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O/c1-22-12-13-29-27(20-22)28(21-30(34-29)25-14-17-32-18-15-25)31(35)33-19-16-26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,17-18,20-21,26H,16,19H2,1H3,(H,33,35).
What are the key properties of N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 3397561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).