2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide

C28H29N3O5 — CID 18591142

IUPAC2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)c(CNc2ccc(C)cc2)cc2cc(OC)c(OC)cc21
InChIInChI=1S/C28H29N3O5/c1-18-9-11-21(12-10-18)29-16-20-13-19-14-25(35-3)26(36-4)15-23(19)31(28(20)33)17-27(32)30-22-7-5-6-8-24(22)34-2/h5-15,29H,16-17H2,1-4H3,(H,30,32)
InChIKeyNESONULMNFFVID-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.59
Rot. Bonds9

About 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide

2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 18591142) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID18591142
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC Name2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(=O)c(CNc2ccc(C)cc2)cc2cc(OC)c(OC)cc21
InChIInChI=1S/C28H29N3O5/c1-18-9-11-21(12-10-18)29-16-20-13-19-14-25(35-3)26(36-4)15-23(19)31(28(20)33)17-27(32)30-22-7-5-6-8-24(22)34-2/h5-15,29H,16-17H2,1-4H3,(H,30,32)
InChIKeyNESONULMNFFVID-UHFFFAOYSA-N
XLogP4.59
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 20922007
2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide
CID 18591309
N-(2-chlorophenyl)-2-[3-[(3,4-dimethoxyanilino)methyl]-7-methyl-2-oxoquinolin-1-yl]acetamide
CID 18592296
2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16956547
2-[3-[(3,4-dimethoxyanilino)methyl]-7-methyl-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18592297
2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 160685645
2-[6,7-dimethoxy-3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 160777515
2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20921998
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(2-methylphenyl)acetamide
CID 18591157
2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide
CID 16956575
N-(2,6-dimethylphenyl)-2-[8-[(4-methylanilino)methyl]-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]acetamide
CID 16956586
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 18591671

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 18591142) is 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1c(=O)c(CNc2ccc(C)cc2)cc2cc(OC)c(OC)cc21.
What is the InChIKey of 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is NESONULMNFFVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-18-9-11-21(12-10-18)29-16-20-13-19-14-25(35-3)26(36-4)15-23(19)31(28(20)33)17-27(32)30-22-7-5-6-8-24(22)34-2/h5-15,29H,16-17H2,1-4H3,(H,30,32).
What are the key properties of 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 487.56 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 18591142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).