N-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide

C23H17N3O2 — CID 2460117

IUPACN-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C23H17N3O2/c1-15(27)17-5-4-6-18(13-17)25-23(28)20-14-22(16-9-11-24-12-10-16)26-21-8-3-2-7-19(20)21/h2-14H,1H3,(H,25,28)
InChIKeyCECJQQFQGNRAGC-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.75
Rot. Bonds4

About N-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2460117) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2460117
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC NameN-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C23H17N3O2/c1-15(27)17-5-4-6-18(13-17)25-23(28)20-14-22(16-9-11-24-12-10-16)26-21-8-3-2-7-19(20)21/h2-14H,1H3,(H,25,28)
InChIKeyCECJQQFQGNRAGC-UHFFFAOYSA-N
XLogP4.75
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 2460117) is N-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is CECJQQFQGNRAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c1-15(27)17-5-4-6-18(13-17)25-23(28)20-14-22(16-9-11-24-12-10-16)26-21-8-3-2-7-19(20)21/h2-14H,1H3,(H,25,28).
What are the key properties of N-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2460117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).