8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one

C22H21FN6O3 — CID 155160544

IUPAC8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1c(F)c[nH]c1OC)c(=O)n3C
InChIInChI=1S/C22H21FN6O3/c1-11-14(10-27(2)26-11)12-6-13-16(7-18(12)31-4)24-9-17-19(13)29(22(30)28(17)3)20-15(23)8-25-21(20)32-5/h6-10,25H,1-5H3
InChIKeyHDVNLUSMAVRUKV-UHFFFAOYSA-N
MW436.45 g/mol
LogP3.07
Rot. Bonds4

About 8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one

8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 155160544) has the molecular formula C22H21FN6O3 and a molecular weight of 436.45 g/mol. Its IUPAC name is 8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID155160544
Molecular FormulaC22H21FN6O3
Molecular Weight436.45 g/mol
Exact Mass436.17
IUPAC Name8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1c(F)c[nH]c1OC)c(=O)n3C
InChIInChI=1S/C22H21FN6O3/c1-11-14(10-27(2)26-11)12-6-13-16(7-18(12)31-4)24-9-17-19(13)29(22(30)28(17)3)20-15(23)8-25-21(20)32-5/h6-10,25H,1-5H3
InChIKeyHDVNLUSMAVRUKV-UHFFFAOYSA-N
XLogP3.07
TPSA91.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[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

8-(1,3-dimethylpyrazol-4-yl)-1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 148708079
8-(1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-3-methoxy-2-methyl-2,3-dihydropyridin-4-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 170013527
1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589435
1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 134325522
1-[3-fluoro-5-(trideuteriomethoxy)-4-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589373
1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one
CID 122589401
1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 134325566
1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(3-methyl-1,2-dihydro-1,3,2-diazaphosphol-5-yl)imidazo[4,5-c]quinolin-2-one
CID 146228359
1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one
CID 134325571
8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one;7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 161317294
[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
8-(3H-benzimidazol-5-yl)-1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one;1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-3H-benzimidazol-5-yl)imidazo[4,5-c]quinolin-2-one;1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methyl-8-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)imidazo[4,5-c]quinolin-2-one
CID 158204504

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (CID 155160544) is 8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cn(C)nc1C)n(-c1c(F)c[nH]c1OC)c(=O)n3C.
What is the InChIKey of 8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is HDVNLUSMAVRUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O3/c1-11-14(10-27(2)26-11)12-6-13-16(7-18(12)31-4)24-9-17-19(13)29(22(30)28(17)3)20-15(23)8-25-21(20)32-5/h6-10,25H,1-5H3.
What are the key properties of 8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 436.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 155160544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).