3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide

C17H21N5O5S — CID 164820138

IUPAC3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide
SMILESCOc1cc2ncc3c(c2cc1OC)n(CC1CN(S(N)(=O)=O)C1)c(=O)n3C
InChIInChI=1S/C17H21N5O5S/c1-20-13-6-19-12-5-15(27-3)14(26-2)4-11(12)16(13)22(17(20)23)9-10-7-21(8-10)28(18,24)25/h4-6,10H,7-9H2,1-3H3,(H2,18,24,25)
InChIKeyRTNPEYPZSZEEII-UHFFFAOYSA-N
MW407.45 g/mol
LogP0.04
Rot. Bonds5

About 3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide

3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide (PubChem CID 164820138) has the molecular formula C17H21N5O5S and a molecular weight of 407.45 g/mol. Its IUPAC name is 3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide.

Molecular Properties

Compound Name3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide
PubChem CID164820138
Molecular FormulaC17H21N5O5S
Molecular Weight407.45 g/mol
Exact Mass407.13
IUPAC Name3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide
SMILESCOc1cc2ncc3c(c2cc1OC)n(CC1CN(S(N)(=O)=O)C1)c(=O)n3C
InChIInChI=1S/C17H21N5O5S/c1-20-13-6-19-12-5-15(27-3)14(26-2)4-11(12)16(13)22(17(20)23)9-10-7-21(8-10)28(18,24)25/h4-6,10H,7-9H2,1-3H3,(H2,18,24,25)
InChIKeyRTNPEYPZSZEEII-UHFFFAOYSA-N
XLogP0.04
TPSA121.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide with MolForge

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Related Compounds

[4-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]phosphonic acid
CID 163399444
1-(azetidin-3-ylmethyl)-7,8-dimethoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 156713481
4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride
CID 165032681
3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 77106932
1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589435
2-[1-(3,6,7-trimethoxyquinolin-4-yl)piperidin-4-yl]ethyl sulfamate
CID 175341820
1-(5-ethenyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 145161742
3,5-difluoro-4-[7-methoxy-3-methyl-2-oxo-8-(thiophen-3-ylmethoxy)imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847469
1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 164609567
3-[(4-methoxyphenyl)methyl]-1-methyl-2-oxoimidazo[4,5-c]quinoline-7,8-dicarboxylic acid
CID 77107330
[5-fluoro-6-[7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]-3-pyridinyl] hydrogen carbonate
CID 122589385
2-[1-(3-fluoro-6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl sulfamate
CID 175341918

Frequently Asked Questions

What is the IUPAC name of 3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide?
The IUPAC name of 3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide (CID 164820138) is 3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide.
What is the SMILES notation for 3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide?
The canonical SMILES for 3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide is COc1cc2ncc3c(c2cc1OC)n(CC1CN(S(N)(=O)=O)C1)c(=O)n3C.
What is the InChIKey of 3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide?
The InChIKey is RTNPEYPZSZEEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5S/c1-20-13-6-19-12-5-15(27-3)14(26-2)4-11(12)16(13)22(17(20)23)9-10-7-21(8-10)28(18,24)25/h4-6,10H,7-9H2,1-3H3,(H2,18,24,25).
What are the key properties of 3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide?
3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide has a molecular weight of 407.45 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]azetidine-1-sulfonamide is sourced from PubChem (CID 164820138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).