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

C25H23N3O3 — CID 4887270

IUPAC8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOc1ccc(C2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)cc1OC
InChIInChI=1S/C25H23N3O3/c1-15-24(16-7-5-4-6-8-16)25-26-14-19-20(28(25)27-15)11-18(12-21(19)29)17-9-10-22(30-2)23(13-17)31-3/h4-10,13-14,18H,11-12H2,1-3H3
InChIKeyKRKLIWZQEHVWOL-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.63
Rot. Bonds4

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

8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 4887270) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID4887270
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCOc1ccc(C2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)cc1OC
InChIInChI=1S/C25H23N3O3/c1-15-24(16-7-5-4-6-8-16)25-26-14-19-20(28(25)27-15)11-18(12-21(19)29)17-9-10-22(30-2)23(13-17)31-3/h4-10,13-14,18H,11-12H2,1-3H3
InChIKeyKRKLIWZQEHVWOL-UHFFFAOYSA-N
XLogP4.63
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 4887270) is 8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is COc1ccc(C2CC(=O)c3cnc4c(-c5ccccc5)c(C)nn4c3C2)cc1OC.
What is the InChIKey of 8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is KRKLIWZQEHVWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-15-24(16-7-5-4-6-8-16)25-26-14-19-20(28(25)27-15)11-18(12-21(19)29)17-9-10-22(30-2)23(13-17)31-3/h4-10,13-14,18H,11-12H2,1-3H3.
What are the key properties of 8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 413.48 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dimethoxyphenyl)-2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 4887270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).