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

C27H26N2O5 — CID 1386980

IUPAC3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2OC)cc1OC
InChIInChI=1S/C27H26N2O5/c1-17-8-7-9-18-14-20(26(30)28-25(17)18)16-29(21-10-5-6-11-22(21)32-2)27(31)19-12-13-23(33-3)24(15-19)34-4/h5-15H,16H2,1-4H3,(H,28,30)
InChIKeyAXABUIAHMFCRHU-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.71
Rot. Bonds7

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

3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1386980) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID1386980
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Name3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2OC)cc1OC
InChIInChI=1S/C27H26N2O5/c1-17-8-7-9-18-14-20(26(30)28-25(17)18)16-29(21-10-5-6-11-22(21)32-2)27(31)19-12-13-23(33-3)24(15-19)34-4/h5-15H,16H2,1-4H3,(H,28,30)
InChIKeyAXABUIAHMFCRHU-UHFFFAOYSA-N
XLogP4.71
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
CID 1390805
N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
CID 1416098
N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 5004431
N-(3,4-dimethylphenyl)-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1410281
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 3682103
3-chloro-N-(2,3-dimethylphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 46262354
4-methoxy-N-(3-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1422005
N-(4-ethoxyphenyl)-4-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1418449
N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 23997269
2,2-dimethyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylphenyl)propanamide
CID 2010254
2-fluoro-N-(4-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1421798
1-[2-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1459293

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1386980) is 3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2OC)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is AXABUIAHMFCRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-17-8-7-9-18-14-20(26(30)28-25(17)18)16-29(21-10-5-6-11-22(21)32-2)27(31)19-12-13-23(33-3)24(15-19)34-4/h5-15H,16H2,1-4H3,(H,28,30).
What are the key properties of 3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 458.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-methoxyphenyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1386980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).