6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one

C17H10F3N3O2 — CID 91313917

IUPAC6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one
SMILESCc1cc2c(cnn2-c2ccnc3c(C(F)(F)F)cccc23)c(=O)o1
InChIInChI=1S/C17H10F3N3O2/c1-9-7-14-11(16(24)25-9)8-22-23(14)13-5-6-21-15-10(13)3-2-4-12(15)17(18,19)20/h2-8H,1H3
InChIKeyDDDQCMPFGFPWES-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.85
Rot. Bonds1

About 6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one

6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one (PubChem CID 91313917) has the molecular formula C17H10F3N3O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one.

Molecular Properties

Compound Name6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one
PubChem CID91313917
Molecular FormulaC17H10F3N3O2
Molecular Weight345.28 g/mol
Exact Mass345.07
IUPAC Name6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one
SMILESCc1cc2c(cnn2-c2ccnc3c(C(F)(F)F)cccc23)c(=O)o1
InChIInChI=1S/C17H10F3N3O2/c1-9-7-14-11(16(24)25-9)8-22-23(14)13-5-6-21-15-10(13)3-2-4-12(15)17(18,19)20/h2-8H,1H3
InChIKeyDDDQCMPFGFPWES-UHFFFAOYSA-N
XLogP3.85
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one?
The IUPAC name of 6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one (CID 91313917) is 6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one.
What is the SMILES notation for 6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one?
The canonical SMILES for 6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one is Cc1cc2c(cnn2-c2ccnc3c(C(F)(F)F)cccc23)c(=O)o1.
What is the InChIKey of 6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one?
The InChIKey is DDDQCMPFGFPWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2/c1-9-7-14-11(16(24)25-9)8-22-23(14)13-5-6-21-15-10(13)3-2-4-12(15)17(18,19)20/h2-8H,1H3.
What are the key properties of 6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one?
6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one has a molecular weight of 345.28 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrano[3,4-d]pyrazol-4-one is sourced from PubChem (CID 91313917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).