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

C27H26N2O3 — CID 3193877

IUPACN-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2C)cc1
InChIInChI=1S/C27H26N2O3/c1-18-8-11-21-15-22(26(30)28-25(21)14-18)17-29(16-20-9-12-23(32-3)13-10-20)27(31)24-7-5-4-6-19(24)2/h4-15H,16-17H2,1-3H3,(H,28,30)
InChIKeyRJZLARCGVSNQEZ-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.00
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 3193877) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID3193877
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCOc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2C)cc1
InChIInChI=1S/C27H26N2O3/c1-18-8-11-21-15-22(26(30)28-25(21)14-18)17-29(16-20-9-12-23(32-3)13-10-20)27(31)24-7-5-4-6-19(24)2/h4-15H,16-17H2,1-3H3,(H,28,30)
InChIKeyRJZLARCGVSNQEZ-UHFFFAOYSA-N
XLogP5.00
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1391995
N-(4-methoxyphenyl)-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1415542
N-ethyl-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 941055
2-chloro-N-[(4-fluorophenyl)methyl]-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1459108
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1141037
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 1458729
4-bromo-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 3194044
1-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449331
3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1140960
N-(4-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
CID 662188
1-benzyl-3-(2-methoxyphenyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449303
N-butyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 3932848

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 3193877) is N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is COc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is RJZLARCGVSNQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-18-8-11-21-15-22(26(30)28-25(21)14-18)17-29(16-20-9-12-23(32-3)13-10-20)27(31)24-7-5-4-6-19(24)2/h4-15H,16-17H2,1-3H3,(H,28,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 3193877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).