1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one

C16H18N4O3 — CID 156713481

IUPAC1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3[nH]c(=O)n(CC4CNC4)c3c2cc1OC
InChIInChI=1S/C16H18N4O3/c1-22-13-3-10-11(4-14(13)23-2)18-7-12-15(10)20(16(21)19-12)8-9-5-17-6-9/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,19,21)
InChIKeyXSFVWXSYFWEPKT-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.11
Rot. Bonds4

About 1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one

1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 156713481) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID156713481
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3[nH]c(=O)n(CC4CNC4)c3c2cc1OC
InChIInChI=1S/C16H18N4O3/c1-22-13-3-10-11(4-14(13)23-2)18-7-12-15(10)20(16(21)19-12)8-9-5-17-6-9/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,19,21)
InChIKeyXSFVWXSYFWEPKT-UHFFFAOYSA-N
XLogP1.11
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 164609567
1-(cyclohexylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 52935407
3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide
CID 164820138
1-[(2,4-dimethoxyphenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 70664326
8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 122589369
6-methoxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262552
3-(azetidin-3-ylmethyl)-7-methoxyquinazolin-4-one
CID 117264303
7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 175899098
4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
CID 117208672
7,8-dimethoxy-2-methyl-3H-imidazo[4,5-c]quinoline
CID 156713420
1-(cyclopropylmethyl)-6-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 46235725
2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136640407

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one (CID 156713481) is 1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3[nH]c(=O)n(CC4CNC4)c3c2cc1OC.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is XSFVWXSYFWEPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-22-13-3-10-11(4-14(13)23-2)18-7-12-15(10)20(16(21)19-12)8-9-5-17-6-9/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,19,21).
What are the key properties of 1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one?
1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 314.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 156713481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).