4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide

C23H19N3O3 — CID 154840617

IUPAC4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)c1ccccn1
InChIInChI=1S/C23H19N3O3/c1-15(20-9-5-6-12-24-20)26-23(28)19-14-25-21-11-10-17(13-18(21)22(19)27)29-16-7-3-2-4-8-16/h2-15H,1H3,(H,25,27)(H,26,28)
InChIKeyDXEPEUTZTCJKJN-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.21
Rot. Bonds5

About 4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide

4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide (PubChem CID 154840617) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide
PubChem CID154840617
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)c1ccccn1
InChIInChI=1S/C23H19N3O3/c1-15(20-9-5-6-12-24-20)26-23(28)19-14-25-21-11-10-17(13-18(21)22(19)27)29-16-7-3-2-4-8-16/h2-15H,1H3,(H,25,27)(H,26,28)
InChIKeyDXEPEUTZTCJKJN-UHFFFAOYSA-N
XLogP4.21
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate
CID 78980082
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
2-oxo-6-phenyl-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95975984
3-acetamido-5-methoxy-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide
CID 92628849
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
3-methyl-5-phenoxy-1H-indole
CID 82494590
6-fluoro-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 74242682
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 15990889
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
6-methyl-2-oxo-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95976232
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide (CID 154840617) is 4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide is CC(NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)c1ccccn1.
What is the InChIKey of 4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is DXEPEUTZTCJKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15(20-9-5-6-12-24-20)26-23(28)19-14-25-21-11-10-17(13-18(21)22(19)27)29-16-7-3-2-4-8-16/h2-15H,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide?
4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-phenoxy-N-(1-pyridin-2-ylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 154840617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).