N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide

C26H21N3O2 — CID 166179805

IUPACN-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C26H21N3O2/c1-16(18-11-12-22-19(13-18)14-25(30)29-22)27-26(31)21-15-24(17-7-3-2-4-8-17)28-23-10-6-5-9-20(21)23/h2-13,15-16H,14H2,1H3,(H,27,31)(H,29,30)
InChIKeyDQCIECSVGZDMIQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.89
Rot. Bonds4

About N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide

N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 166179805) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide
PubChem CID166179805
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC NameN-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C26H21N3O2/c1-16(18-11-12-22-19(13-18)14-25(30)29-22)27-26(31)21-15-24(17-7-3-2-4-8-17)28-23-10-6-5-9-20(21)23/h2-13,15-16H,14H2,1H3,(H,27,31)(H,29,30)
InChIKeyDQCIECSVGZDMIQ-UHFFFAOYSA-N
XLogP4.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-phenylfuran-2-carboxamide
CID 154774789
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 159321115
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 71893219
N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 69135579
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]quinoline-4-carboxamide
CID 40875191
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 3274863
methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858
N-[1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098159

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide (CID 166179805) is N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide is CC(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is DQCIECSVGZDMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-16(18-11-12-22-19(13-18)14-25(30)29-22)27-26(31)21-15-24(17-7-3-2-4-8-17)28-23-10-6-5-9-20(21)23/h2-13,15-16H,14H2,1H3,(H,27,31)(H,29,30).
What are the key properties of N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide?
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 166179805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).