8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one

C23H23FN6O3 — CID 146221284

IUPAC8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1C1C=NN(C)C1C)n(-c1c(F)cncc1OC)c(=O)n3C
InChIInChI=1S/C23H23FN6O3/c1-12-15(8-27-29(12)3)13-6-14-17(7-19(13)32-4)26-10-18-21(14)30(23(31)28(18)2)22-16(24)9-25-11-20(22)33-5/h6-12,15H,1-5H3
InChIKeyOBKMAYWGTSBSBU-UHFFFAOYSA-N
MW450.47 g/mol
LogP2.83
Rot. Bonds4

About 8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one

8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 146221284) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is 8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID146221284
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1cc2ncc3c(c2cc1C1C=NN(C)C1C)n(-c1c(F)cncc1OC)c(=O)n3C
InChIInChI=1S/C23H23FN6O3/c1-12-15(8-27-29(12)3)13-6-14-17(7-19(13)32-4)26-10-18-21(14)30(23(31)28(18)2)22-16(24)9-25-11-20(22)33-5/h6-12,15H,1-5H3
InChIKeyOBKMAYWGTSBSBU-UHFFFAOYSA-N
XLogP2.83
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one with MolForge

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Related Compounds

8-[2-(difluoromethyl)-3-methyl-3,4-dihydropyrazol-4-yl]-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 146221285
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-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589435
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
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-ethoxy-5-fluoro-4-pyridinyl)-7-(methoxymethyl)-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 146228471
8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 145161829
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
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
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
8-bromo-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 122589369
1-(3-fluoro-4-pyridinyl)-7-methoxy-3-methyl-8-[(Z)-3-methyl-1-(methylphosphanylamino)but-1-enyl]imidazo[4,5-c]quinolin-2-one
CID 146228336

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one (CID 146221284) is 8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1C1C=NN(C)C1C)n(-c1c(F)cncc1OC)c(=O)n3C.
What is the InChIKey of 8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is OBKMAYWGTSBSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3/c1-12-15(8-27-29(12)3)13-6-14-17(7-19(13)32-4)26-10-18-21(14)30(23(31)28(18)2)22-16(24)9-25-11-20(22)33-5/h6-12,15H,1-5H3.
What are the key properties of 8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one?
8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 450.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 146221284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).