N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide

C24H21N3O — CID 69053992

IUPACN-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide
SMILESCCc1cc(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccn1
InChIInChI=1S/C24H21N3O/c1-2-19-14-17(12-13-25-19)16-26-24(28)21-15-23(18-8-4-3-5-9-18)27-22-11-7-6-10-20(21)22/h3-15H,2,16H2,1H3,(H,26,28)
InChIKeyITPLFVLPMOBQGJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.79
Rot. Bonds5

About N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide

N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide (PubChem CID 69053992) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide
PubChem CID69053992
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide
SMILESCCc1cc(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccn1
InChIInChI=1S/C24H21N3O/c1-2-19-14-17(12-13-25-19)16-26-24(28)21-15-23(18-8-4-3-5-9-18)27-22-11-7-6-10-20(21)22/h3-15H,2,16H2,1H3,(H,26,28)
InChIKeyITPLFVLPMOBQGJ-UHFFFAOYSA-N
XLogP4.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 757671
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 55533813
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 4286720
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide (CID 69053992) is N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide is CCc1cc(CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccn1.
What is the InChIKey of N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is ITPLFVLPMOBQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-2-19-14-17(12-13-25-19)16-26-24(28)21-15-23(18-8-4-3-5-9-18)27-22-11-7-6-10-20(21)22/h3-15H,2,16H2,1H3,(H,26,28).
What are the key properties of N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide?
N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4-pyridinyl)methyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 69053992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).