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

C30H25N3O — CID 3457681

IUPACN-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C30H25N3O/c34-30(32-20-17-25(22-9-3-1-4-10-22)23-11-5-2-6-12-23)27-21-29(24-15-18-31-19-16-24)33-28-14-8-7-13-26(27)28/h1-16,18-19,21,25H,17,20H2,(H,32,34)
InChIKeyOMISDBZBIGXEJK-UHFFFAOYSA-N
MW443.55 g/mol
LogP6.25
Rot. Bonds7

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

N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 3457681) has the molecular formula C30H25N3O and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID3457681
Molecular FormulaC30H25N3O
Molecular Weight443.55 g/mol
Exact Mass443.20
IUPAC NameN-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C30H25N3O/c34-30(32-20-17-25(22-9-3-1-4-10-22)23-11-5-2-6-12-23)27-21-29(24-15-18-31-19-16-24)33-28-14-8-7-13-26(27)28/h1-16,18-19,21,25H,17,20H2,(H,32,34)
InChIKeyOMISDBZBIGXEJK-UHFFFAOYSA-N
XLogP6.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 3397561
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-(2-imidazol-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 72933899
N-(2-piperidin-1-ylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749438
N-[2-[bis(2-methylpropyl)amino]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4302865
N-[2-(azepan-1-ium-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082846
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 3457681) is N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is OMISDBZBIGXEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O/c34-30(32-20-17-25(22-9-3-1-4-10-22)23-11-5-2-6-12-23)27-21-29(24-15-18-31-19-16-24)33-28-14-8-7-13-26(27)28/h1-16,18-19,21,25H,17,20H2,(H,32,34).
What are the key properties of N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 6.25, 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)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 3457681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).