2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide

C28H29N3O4 — CID 18591309

IUPAC2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCCc1ccc(NCc2cc3cc(OC)c(OC)cc3n(CC(=O)Nc3ccccc3)c2=O)cc1
InChIInChI=1S/C28H29N3O4/c1-4-19-10-12-22(13-11-19)29-17-21-14-20-15-25(34-2)26(35-3)16-24(20)31(28(21)33)18-27(32)30-23-8-6-5-7-9-23/h5-16,29H,4,17-18H2,1-3H3,(H,30,32)
InChIKeyQHDPCPQVQRAGKS-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.83
Rot. Bonds9

About 2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide

2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide (PubChem CID 18591309) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is 2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide
PubChem CID18591309
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide
SMILESCCc1ccc(NCc2cc3cc(OC)c(OC)cc3n(CC(=O)Nc3ccccc3)c2=O)cc1
InChIInChI=1S/C28H29N3O4/c1-4-19-10-12-22(13-11-19)29-17-21-14-20-15-25(34-2)26(35-3)16-24(20)31(28(21)33)18-27(32)30-23-8-6-5-7-9-23/h5-16,29H,4,17-18H2,1-3H3,(H,30,32)
InChIKeyQHDPCPQVQRAGKS-UHFFFAOYSA-N
XLogP4.83
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 18591142
2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16956547
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 18591671
2-[8-[(4-ethylanilino)methyl]-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-ethylphenyl)acetamide
CID 20922088
N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 161418456
N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide
CID 20922034
2-[3-[(3,4-dimethoxyanilino)methyl]-7-methyl-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18592297
N-(3,5-dimethylphenyl)-2-[8-[(4-ethylanilino)methyl]-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]acetamide
CID 16956226
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 18591162
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide (CID 18591309) is 2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide is CCc1ccc(NCc2cc3cc(OC)c(OC)cc3n(CC(=O)Nc3ccccc3)c2=O)cc1.
What is the InChIKey of 2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide?
The InChIKey is QHDPCPQVQRAGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-4-19-10-12-22(13-11-19)29-17-21-14-20-15-25(34-2)26(35-3)16-24(20)31(28(21)33)18-27(32)30-23-8-6-5-7-9-23/h5-16,29H,4,17-18H2,1-3H3,(H,30,32).
What are the key properties of 2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide?
2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide has a molecular weight of 471.56 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 18591309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).