2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one

C25H23N3O2 — CID 66503870

IUPAC2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCOCc1nn2cc3c(nc2c1-c1ccccc1)CC(c1ccc(C)cc1)CC3=O
InChIInChI=1S/C25H23N3O2/c1-16-8-10-17(11-9-16)19-12-21-20(23(29)13-19)14-28-25(26-21)24(22(27-28)15-30-2)18-6-4-3-5-7-18/h3-11,14,19H,12-13,15H2,1-2H3
InChIKeyYFVXIFKKEFKGQX-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.76
Rot. Bonds4

About 2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one

2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (PubChem CID 66503870) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
PubChem CID66503870
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
SMILESCOCc1nn2cc3c(nc2c1-c1ccccc1)CC(c1ccc(C)cc1)CC3=O
InChIInChI=1S/C25H23N3O2/c1-16-8-10-17(11-9-16)19-12-21-20(23(29)13-19)14-28-25(26-21)24(22(27-28)15-30-2)18-6-4-3-5-7-18/h3-11,14,19H,12-13,15H2,1-2H3
InChIKeyYFVXIFKKEFKGQX-UHFFFAOYSA-N
XLogP4.76
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,4-dimethoxyphenyl)-2-(methoxymethyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503909
6-(3-chlorophenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503931
3-(4-bromophenyl)-6-(3-chlorophenyl)-2-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503915
2-methyl-3-phenyl-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66504011
3-(3-chlorophenyl)-2-(methoxymethyl)-6-thiophen-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66504133
6-(furan-2-yl)-2-(methoxymethyl)-3-(3-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503779
6-(3-chlorophenyl)-2-ethyl-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503930
2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17190733
3-(4-fluorophenyl)-2-(methoxymethyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b]quinazolin-8-one
CID 66503676
3-(3,4-dimethoxyphenyl)-2-ethyl-6-(2-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503952
(6S)-2,6-bis(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 29100674
6-(3,5-difluorophenyl)-3-(4-methoxyphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one
CID 66503874

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one (CID 66503870) is 2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is COCc1nn2cc3c(nc2c1-c1ccccc1)CC(c1ccc(C)cc1)CC3=O.
What is the InChIKey of 2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
The InChIKey is YFVXIFKKEFKGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16-8-10-17(11-9-16)19-12-21-20(23(29)13-19)14-28-25(26-21)24(22(27-28)15-30-2)18-6-4-3-5-7-18/h3-11,14,19H,12-13,15H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one?
2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one has a molecular weight of 397.48 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(4-methylphenyl)-3-phenyl-6,7-dihydro-5H-pyrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 66503870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).