3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one

C24H18F2N4O3 — CID 135997566

IUPAC3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c(C)cc1Oc1c(F)cccc1F
InChIInChI=1S/C24H18F2N4O3/c1-12-10-19(33-22-14(25)7-5-8-15(22)26)18(32-2)11-17(12)30-23(27)20-21(29-30)13-6-3-4-9-16(13)28-24(20)31/h3-11H,27H2,1-2H3,(H,28,31)
InChIKeyTWPWGWAPCLTOBG-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.84
Rot. Bonds4

About 3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135997566) has the molecular formula C24H18F2N4O3 and a molecular weight of 448.43 g/mol. Its IUPAC name is 3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135997566
Molecular FormulaC24H18F2N4O3
Molecular Weight448.43 g/mol
Exact Mass448.13
IUPAC Name3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c(C)cc1Oc1c(F)cccc1F
InChIInChI=1S/C24H18F2N4O3/c1-12-10-19(33-22-14(25)7-5-8-15(22)26)18(32-2)11-17(12)30-23(27)20-21(29-30)13-6-3-4-9-16(13)28-24(20)31/h3-11H,27H2,1-2H3,(H,28,31)
InChIKeyTWPWGWAPCLTOBG-UHFFFAOYSA-N
XLogP4.84
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135997566) is 3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one is COc1cc(-n2nc3c(c2N)c(=O)[nH]c2ccccc23)c(C)cc1Oc1c(F)cccc1F.
What is the InChIKey of 3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is TWPWGWAPCLTOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4O3/c1-12-10-19(33-22-14(25)7-5-8-15(22)26)18(32-2)11-17(12)30-23(27)20-21(29-30)13-6-3-4-9-16(13)28-24(20)31/h3-11H,27H2,1-2H3,(H,28,31).
What are the key properties of 3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 448.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-(2,6-difluorophenoxy)-5-methoxy-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135997566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).