N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C27H26N2O3 — CID 1418449

IUPACN-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-4-32-24-14-12-23(13-15-24)29(27(31)20-10-8-18(2)9-11-20)17-22-16-21-7-5-6-19(3)25(21)28-26(22)30/h5-16H,4,17H2,1-3H3,(H,28,30)
InChIKeySWNCLRSAOXYYCI-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.39
Rot. Bonds6

About N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1418449) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID1418449
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC NameN-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-4-32-24-14-12-23(13-15-24)29(27(31)20-10-8-18(2)9-11-20)17-22-16-21-7-5-6-19(3)25(21)28-26(22)30/h5-16H,4,17H2,1-3H3,(H,28,30)
InChIKeySWNCLRSAOXYYCI-UHFFFAOYSA-N
XLogP5.39
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 1395368
4-methoxy-N-(3-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1422005
4-chloro-N-(4-ethoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1388201
4-tert-butyl-N-(4-ethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2066349
N-(4-ethoxyphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
CID 1417965
4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1417676
2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1421798
N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 3296261
2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbenzamide
CID 17096505
3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1386980
N-(3,4-dimethylphenyl)-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1410281
N-(4-ethoxyphenyl)-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1391190

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1418449) is N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is SWNCLRSAOXYYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-4-32-24-14-12-23(13-15-24)29(27(31)20-10-8-18(2)9-11-20)17-22-16-21-7-5-6-19(3)25(21)28-26(22)30/h5-16H,4,17H2,1-3H3,(H,28,30).
What are the key properties of N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1418449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).