N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide

C23H19N3O — CID 4082729

IUPACN-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H19N3O/c27-23(25-15-10-17-6-2-1-3-7-17)20-16-22(18-11-13-24-14-12-18)26-21-9-5-4-8-19(20)21/h1-9,11-14,16H,10,15H2,(H,25,27)
InChIKeyBEXFPAQESRVGCZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.27
Rot. Bonds5

About N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 4082729) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID4082729
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC NameN-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H19N3O/c27-23(25-15-10-17-6-2-1-3-7-17)20-16-22(18-11-13-24-14-12-18)26-21-9-5-4-8-19(20)21/h1-9,11-14,16H,10,15H2,(H,25,27)
InChIKeyBEXFPAQESRVGCZ-UHFFFAOYSA-N
XLogP4.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dihydroxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 78796877
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 17374071
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
N-[2-(azepan-1-ium-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082846
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
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

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 4082729) is N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCCc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is BEXFPAQESRVGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c27-23(25-15-10-17-6-2-1-3-7-17)20-16-22(18-11-13-24-14-12-18)26-21-9-5-4-8-19(20)21/h1-9,11-14,16H,10,15H2,(H,25,27).
What are the key properties of N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 4082729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).