1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one

C20H23N3O3 — CID 9235747

IUPAC1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one
SMILESCCOc1ccc(CN(C)Cn2ncc(=O)c3ccccc32)cc1OC
InChIInChI=1S/C20H23N3O3/c1-4-26-19-10-9-15(11-20(19)25-3)13-22(2)14-23-17-8-6-5-7-16(17)18(24)12-21-23/h5-12H,4,13-14H2,1-3H3
InChIKeyVNAPXSQRULDCBH-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.89
Rot. Bonds7

About 1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one

1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one (PubChem CID 9235747) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one
PubChem CID9235747
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one
SMILESCCOc1ccc(CN(C)Cn2ncc(=O)c3ccccc32)cc1OC
InChIInChI=1S/C20H23N3O3/c1-4-26-19-10-9-15(11-20(19)25-3)13-22(2)14-23-17-8-6-5-7-16(17)18(24)12-21-23/h5-12H,4,13-14H2,1-3H3
InChIKeyVNAPXSQRULDCBH-UHFFFAOYSA-N
XLogP2.89
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 55413062
1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-N,N-dimethyl-6-oxopyridine-3-sulfonamide
CID 9235600
5-benzyl-2-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-4-(2-methoxyethyl)-1,2,4-triazole-3-thione
CID 22108272
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
CID 47118864
1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione
CID 9235559
N-(4,5-dimethoxy-2-methylphenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 55413086
1-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-4-thiophen-2-yltetrazol-5-one
CID 9240734
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 8798163
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
2-[[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]methyl]-4-(3,4-difluorophenyl)phthalazin-1-one
CID 55735393
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 38400635

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one?
The IUPAC name of 1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one (CID 9235747) is 1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one.
What is the SMILES notation for 1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one?
The canonical SMILES for 1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one is CCOc1ccc(CN(C)Cn2ncc(=O)c3ccccc32)cc1OC.
What is the InChIKey of 1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one?
The InChIKey is VNAPXSQRULDCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-26-19-10-9-15(11-20(19)25-3)13-22(2)14-23-17-8-6-5-7-16(17)18(24)12-21-23/h5-12H,4,13-14H2,1-3H3.
What are the key properties of 1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one?
1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one has a molecular weight of 353.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]methyl]cinnolin-4-one is sourced from PubChem (CID 9235747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).