2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide

C26H25N3O3 — CID 16956547

IUPAC2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)cc3)c2c1
InChIInChI=1S/C26H25N3O3/c1-18-8-11-22(12-9-18)28-25(30)17-29-24-15-23(32-2)13-10-19(24)14-20(26(29)31)16-27-21-6-4-3-5-7-21/h3-15,27H,16-17H2,1-2H3,(H,28,30)
InChIKeyAWCMXSDZFMTPFK-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.57
Rot. Bonds7

About 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide

2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 16956547) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID16956547
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)cc3)c2c1
InChIInChI=1S/C26H25N3O3/c1-18-8-11-22(12-9-18)28-25(30)17-29-24-15-23(32-2)13-10-19(24)14-20(26(29)31)16-27-21-6-4-3-5-7-21/h3-15,27H,16-17H2,1-2H3,(H,28,30)
InChIKeyAWCMXSDZFMTPFK-UHFFFAOYSA-N
XLogP4.57
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide
CID 16956575
2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]acetamide
CID 20922056
2-[3-[(3,4-dimethoxyanilino)methyl]-7-methyl-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18592297
2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 161123821
2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 20922007
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 18591671
N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 161418456
2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide
CID 18591309
2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 18591142
2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 160535192
N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 158474713
N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide
CID 20922034

Frequently Asked Questions

What is the IUPAC name of 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide (CID 16956547) is 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide is COc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)cc3)c2c1.
What is the InChIKey of 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is AWCMXSDZFMTPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18-8-11-22(12-9-18)28-25(30)17-29-24-15-23(32-2)13-10-19(24)14-20(26(29)31)16-27-21-6-4-3-5-7-21/h3-15,27H,16-17H2,1-2H3,(H,28,30).
What are the key properties of 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide?
2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 427.50 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 16956547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).