8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

C21H17N3O2 — CID 667097

IUPAC8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(c1ccco1)C3
InChIInChI=1S/C21H17N3O2/c1-13-20(14-6-3-2-4-7-14)21-22-12-16-17(24(21)23-13)10-15(11-18(16)25)19-8-5-9-26-19/h2-9,12,15H,10-11H2,1H3
InChIKeyHEYHTKDNMRRVIW-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.21
Rot. Bonds2

About 8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 667097) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID667097
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(c1ccco1)C3
InChIInChI=1S/C21H17N3O2/c1-13-20(14-6-3-2-4-7-14)21-22-12-16-17(24(21)23-13)10-15(11-18(16)25)19-8-5-9-26-19/h2-9,12,15H,10-11H2,1H3
InChIKeyHEYHTKDNMRRVIW-UHFFFAOYSA-N
XLogP4.21
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 667097) is 8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(c1ccco1)C3.
What is the InChIKey of 8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is HEYHTKDNMRRVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-20(14-6-3-2-4-7-14)21-22-12-16-17(24(21)23-13)10-15(11-18(16)25)19-8-5-9-26-19/h2-9,12,15H,10-11H2,1H3.
What are the key properties of 8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 343.39 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 667097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).