2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

C18H15N3O3 — CID 135907005

IUPAC2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCOc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1OC
InChIInChI=1S/C18H15N3O3/c1-23-15-8-7-11(9-16(15)24-2)13-10-17-19-18(22)12-5-3-4-6-14(12)21(17)20-13/h3-10H,1-2H3,(H,19,22)
InChIKeyNHMVZIGWJKGQDI-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.86
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one

2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 135907005) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID135907005
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCOc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1OC
InChIInChI=1S/C18H15N3O3/c1-23-15-8-7-11(9-16(15)24-2)13-10-17-19-18(22)12-5-3-4-6-14(12)21(17)20-13/h3-10H,1-2H3,(H,19,22)
InChIKeyNHMVZIGWJKGQDI-UHFFFAOYSA-N
XLogP2.86
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136391507
2-[4-(2-Methoxyethoxy)phenyl]-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928128
4-(3-methoxybenzyl)-2-methylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 1481851
2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2353715
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
2-(3-Methoxy-4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983764
2-(3-Methoxy-4-methylphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983710
2-(4-Fluoro-3-methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983722
US9447106, 133a (peak 1)
CID 137228122
3,4,5-trimethoxy-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 1269291
7',8'-dimethoxy-1'-methyl-3'-phenyl-3',4'-dihydrospiro[indole-3,5'-pyrazolo[3,4-c]isoquinolin]-2(1H)-one
CID 2877156
1'-ethyl-7',8'-dimethoxy-3'-phenyl-3',4'-dihydrospiro[indole-3,5'-pyrazolo[3,4-c]isoquinolin]-2(1H)-one
CID 2877183

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 135907005) is 2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is COc1ccc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is NHMVZIGWJKGQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-15-8-7-11(9-16(15)24-2)13-10-17-19-18(22)12-5-3-4-6-14(12)21(17)20-13/h3-10H,1-2H3,(H,19,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one?
2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 321.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 135907005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).