methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate

C19H17N3O4 — CID 66506033

IUPACmethyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate
SMILESCOC(=O)c1cnn2c3c(cnc12)C(=O)CC(c1ccc(OC)cc1)C3
InChIInChI=1S/C19H17N3O4/c1-25-13-5-3-11(4-6-13)12-7-16-14(17(23)8-12)9-20-18-15(19(24)26-2)10-21-22(16)18/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyFDVAFQANWKEOBN-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.44
Rot. Bonds3

About methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate

methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate (PubChem CID 66506033) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate
PubChem CID66506033
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Namemethyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate
SMILESCOC(=O)c1cnn2c3c(cnc12)C(=O)CC(c1ccc(OC)cc1)C3
InChIInChI=1S/C19H17N3O4/c1-25-13-5-3-11(4-6-13)12-7-16-14(17(23)8-12)9-20-18-15(19(24)26-2)10-21-22(16)18/h3-6,9-10,12H,7-8H2,1-2H3
InChIKeyFDVAFQANWKEOBN-UHFFFAOYSA-N
XLogP2.44
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate with MolForge

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Related Compounds

(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 26433714
2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17190733
(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447090
N-[7-(4-methoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
CID 3139680
8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505895
8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505878
(8S)-8-(3,4-dimethoxyphenyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 42581218
6-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17228245
methyl 11-(4-methoxyphenyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
CID 66505200
3-acetyl-8-(4-fluorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 66506053
3-acetyl-8-(4-chlorophenyl)-2-methyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 66506049
7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15957960

Frequently Asked Questions

What is the IUPAC name of methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate?
The IUPAC name of methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate (CID 66506033) is methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate.
What is the SMILES notation for methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate?
The canonical SMILES for methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate is COC(=O)c1cnn2c3c(cnc12)C(=O)CC(c1ccc(OC)cc1)C3.
What is the InChIKey of methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate?
The InChIKey is FDVAFQANWKEOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-25-13-5-3-11(4-6-13)12-7-16-14(17(23)8-12)9-20-18-15(19(24)26-2)10-21-22(16)18/h3-6,9-10,12H,7-8H2,1-2H3.
What are the key properties of methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate?
methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate is sourced from PubChem (CID 66506033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).