methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate

C18H17N3O4 — CID 135632986

IUPACmethyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate
SMILESCOC(=O)c1cnn2c1NC1=C(C(=O)CCC1)C2c1cccc(O)c1
InChIInChI=1S/C18H17N3O4/c1-25-18(24)12-9-19-21-16(10-4-2-5-11(22)8-10)15-13(20-17(12)21)6-3-7-14(15)23/h2,4-5,8-9,16,20,22H,3,6-7H2,1H3
InChIKeyGOKXUCZNKSKSEI-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.40
Rot. Bonds2

About methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate

methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate (PubChem CID 135632986) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate
PubChem CID135632986
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namemethyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate
SMILESCOC(=O)c1cnn2c1NC1=C(C(=O)CCC1)C2c1cccc(O)c1
InChIInChI=1S/C18H17N3O4/c1-25-18(24)12-9-19-21-16(10-4-2-5-11(22)8-10)15-13(20-17(12)21)6-3-7-14(15)23/h2,4-5,8-9,16,20,22H,3,6-7H2,1H3
InChIKeyGOKXUCZNKSKSEI-UHFFFAOYSA-N
XLogP2.40
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 8-oxo-9-phenyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate
CID 135658796
(9R)-9-(3-hydroxyphenyl)-N-(2-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136777343
(9R)-N-(3,4-dimethylphenyl)-9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136848643
methyl 9-(2-chlorophenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate
CID 135632963
methyl 9-(2-fluorophenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate
CID 135632958
9-(4-hydroxyphenyl)-8-oxo-N-phenyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135656677
(9R)-9-(3-chlorophenyl)-N-(3,4-dimethylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136868214
N-(2-methylphenyl)-8-oxo-9-phenyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135656580
(9R)-N-(3,4-dimethylphenyl)-8-oxo-9-phenyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136777315
9-(2,3-dimethoxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135658852
9-(4-hydroxyphenyl)-N-(4-methylphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 135656548
(9S)-9-(2-methoxyphenyl)-8-oxo-N-phenyl-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxamide
CID 136868166

Frequently Asked Questions

What is the IUPAC name of methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate?
The IUPAC name of methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate (CID 135632986) is methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate.
What is the SMILES notation for methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate?
The canonical SMILES for methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate is COC(=O)c1cnn2c1NC1=C(C(=O)CCC1)C2c1cccc(O)c1.
What is the InChIKey of methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate?
The InChIKey is GOKXUCZNKSKSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-25-18(24)12-9-19-21-16(10-4-2-5-11(22)8-10)15-13(20-17(12)21)6-3-7-14(15)23/h2,4-5,8-9,16,20,22H,3,6-7H2,1H3.
What are the key properties of methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate?
methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(3-hydroxyphenyl)-8-oxo-5,6,7,9-tetrahydro-4H-pyrazolo[5,1-b]quinazoline-3-carboxylate is sourced from PubChem (CID 135632986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).