3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

C19H16FN3O2 — CID 66506053

IUPAC3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCC(=O)c1c(C)nn2c3c(cnc12)C(=O)CC(c1ccc(F)cc1)C3
InChIInChI=1S/C19H16FN3O2/c1-10-18(11(2)24)19-21-9-15-16(23(19)22-10)7-13(8-17(15)25)12-3-5-14(20)6-4-12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyLXQCSPVHQFWEAP-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.29
Rot. Bonds2

About 3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 66506053) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID66506053
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCC(=O)c1c(C)nn2c3c(cnc12)C(=O)CC(c1ccc(F)cc1)C3
InChIInChI=1S/C19H16FN3O2/c1-10-18(11(2)24)19-21-9-15-16(23(19)22-10)7-13(8-17(15)25)12-3-5-14(20)6-4-12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyLXQCSPVHQFWEAP-UHFFFAOYSA-N
XLogP3.29
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-8-(4-chlorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 66506049
3-acetyl-8-(3-chlorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 66508082
(8S)-3-(4-fluorophenyl)-2-methyl-8-(4-methylphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 40769140
3-(4-chlorophenyl)-8-(3,5-difluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17079206
8-(4-fluorophenyl)-2-pyridin-3-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505847
8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505880
methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate
CID 66506033
(8S)-2-methyl-8-(2-methylphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 40769132
8-(4-methylphenyl)-2-propyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506081
2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17190733
8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505822
(8R)-3-(4-fluorophenyl)-8-(2-hydroxyphenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[5,1-c][1,2,4]benzotriazin-6-one
CID 26182796

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 66506053) is 3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is CC(=O)c1c(C)nn2c3c(cnc12)C(=O)CC(c1ccc(F)cc1)C3.
What is the InChIKey of 3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is LXQCSPVHQFWEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-10-18(11(2)24)19-21-9-15-16(23(19)22-10)7-13(8-17(15)25)12-3-5-14(20)6-4-12/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 337.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66506053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).