5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one

C19H14F3N3O2 — CID 172525360

IUPAC5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one
SMILESCOc1ccc(-n2c(=O)c3nn(C)cc3c3ccc(C(F)(F)F)cc32)cc1
InChIInChI=1S/C19H14F3N3O2/c1-24-10-15-14-8-3-11(19(20,21)22)9-16(14)25(18(26)17(15)23-24)12-4-6-13(27-2)7-5-12/h3-10H,1-2H3
InChIKeyGMZYDFQXADXDQC-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.90
Rot. Bonds2

About 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one

5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one (PubChem CID 172525360) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one
PubChem CID172525360
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one
SMILESCOc1ccc(-n2c(=O)c3nn(C)cc3c3ccc(C(F)(F)F)cc32)cc1
InChIInChI=1S/C19H14F3N3O2/c1-24-10-15-14-8-3-11(19(20,21)22)9-16(14)25(18(26)17(15)23-24)12-4-6-13(27-2)7-5-12/h3-10H,1-2H3
InChIKeyGMZYDFQXADXDQC-UHFFFAOYSA-N
XLogP3.90
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525423
1-[4-(difluoromethoxy)phenyl]-3-(4-methoxyphenyl)-4-(methylamino)-7-(trifluoromethyl)-1,5-naphthyridin-2-one
CID 177182194
4-chloro-2-methyl-8-(trifluoromethyl)pyrazolo[3,4-c]quinoline
CID 59320673
9-[4-bis[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]phenyl]phosphorylphenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138749634
methyl 4-amino-1-(4-hydroxyphenyl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207314
N-[(1S)-1-(6-cyano-2-pyridinyl)ethyl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide
CID 176741235
3-[2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-5-yl]benzoic acid
CID 172525517
2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
CID 170551504
4-methyl-7-[4-(trifluoromethyl)phenyl]-4,5,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,9,11-pentaene-11-carboxylic acid
CID 157037619
2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
CID 157037796
9-(4-methoxyphenyl)-2,7-dimethylcarbazole
CID 129212267
2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide
CID 176741221

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one (CID 172525360) is 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one is COc1ccc(-n2c(=O)c3nn(C)cc3c3ccc(C(F)(F)F)cc32)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one?
The InChIKey is GMZYDFQXADXDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-24-10-15-14-8-3-11(19(20,21)22)9-16(14)25(18(26)17(15)23-24)12-4-6-13(27-2)7-5-12/h3-10H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one?
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one has a molecular weight of 373.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 172525360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).