N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide

C25H22N2O2 — CID 7080098

IUPACN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
SMILESCc1ccc2cc(CCNC(=O)c3ccc(-c4ccccc4)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C25H22N2O2/c1-17-7-8-21-16-22(25(29)27-23(21)15-17)13-14-26-24(28)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-12,15-16H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyCYOJPLQQQGCUON-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.48
Rot. Bonds5

About N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide

N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide (PubChem CID 7080098) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
PubChem CID7080098
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
SMILESCc1ccc2cc(CCNC(=O)c3ccc(-c4ccccc4)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C25H22N2O2/c1-17-7-8-21-16-22(25(29)27-23(21)15-17)13-14-26-24(28)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-12,15-16H,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyCYOJPLQQQGCUON-UHFFFAOYSA-N
XLogP4.48
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 110325649
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-2-carboxamide
CID 110662758
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4625523
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
CID 3469942
(E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
CID 110616795
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
2,4-dichloro-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 4147135
4-acetamido-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110662798
1-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea
CID 7136867
2-(dimethylamino)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-3-carboxamide
CID 110616799
4-(4-methoxyphenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415264

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide (CID 7080098) is N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide is Cc1ccc2cc(CCNC(=O)c3ccc(-c4ccccc4)cc3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide?
The InChIKey is CYOJPLQQQGCUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-17-7-8-21-16-22(25(29)27-23(21)15-17)13-14-26-24(28)20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-12,15-16H,13-14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide?
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide is sourced from PubChem (CID 7080098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).