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

C28H29N3O4 — CID 20922007

IUPAC2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1cc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C28H29N3O4/c1-18-5-9-22(10-6-18)29-16-21-13-20-14-25(34-3)26(35-4)15-24(20)31(28(21)33)17-27(32)30-23-11-7-19(2)8-12-23/h5-15,29H,16-17H2,1-4H3,(H,30,32)
InChIKeyLESKFHLPHAJCQS-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.89
Rot. Bonds8

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

2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 20922007) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID20922007
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1cc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C28H29N3O4/c1-18-5-9-22(10-6-18)29-16-21-13-20-14-25(34-3)26(35-4)15-24(20)31(28(21)33)17-27(32)30-23-11-7-19(2)8-12-23/h5-15,29H,16-17H2,1-4H3,(H,30,32)
InChIKeyLESKFHLPHAJCQS-UHFFFAOYSA-N
XLogP4.89
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide (CID 20922007) is 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide is COc1cc2cc(CNc3ccc(C)cc3)c(=O)n(CC(=O)Nc3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is LESKFHLPHAJCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-18-5-9-22(10-6-18)29-16-21-13-20-14-25(34-3)26(35-4)15-24(20)31(28(21)33)17-27(32)30-23-11-7-19(2)8-12-23/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-(4-methylphenyl)acetamide?
2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 471.56 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 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-(4-methylphenyl)acetamide is sourced from PubChem (CID 20922007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).