N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide

C26H23N3O2 — CID 10621487

IUPACN-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
SMILESCN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C26H23N3O2/c1-29(2)26(31)24(19-13-7-4-8-14-19)28-25(30)21-17-23(18-11-5-3-6-12-18)27-22-16-10-9-15-20(21)22/h3-17,24H,1-2H3,(H,28,30)
InChIKeyFLFKTULMQZFHSS-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.46
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide

N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 10621487) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
PubChem CID10621487
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
SMILESCN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C26H23N3O2/c1-29(2)26(31)24(19-13-7-4-8-14-19)28-25(30)21-17-23(18-11-5-3-6-12-18)27-22-16-10-9-15-20(21)22/h3-17,24H,1-2H3,(H,28,30)
InChIKeyFLFKTULMQZFHSS-UHFFFAOYSA-N
XLogP4.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-phenyl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 6604858
N-[2-[(2-aminophenyl)methylamino]-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide
CID 67208958
N-[2-(benzhydrylamino)-1-(2,4-dichlorophenyl)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 3313797
N-(3-hydroxy-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
CID 10714925
N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide
CID 71170471
N-[1-(4-methylphenyl)propyl]-2-phenylquinoline-4-carboxamide
CID 3306619
methyl (2R)-2-cyclohexa-1,4-dien-1-yl-2-[(2-phenylquinoline-4-carbonyl)amino]acetate
CID 15411310
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 159321115
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
CID 15489616
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide (CID 10621487) is N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide is CN(C)C(=O)C(NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is FLFKTULMQZFHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-29(2)26(31)24(19-13-7-4-8-14-19)28-25(30)21-17-23(18-11-5-3-6-12-18)27-22-16-10-9-15-20(21)22/h3-17,24H,1-2H3,(H,28,30).
What are the key properties of N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide?
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 10621487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).