methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate

C13H11N3O3 — CID 12552502

IUPACmethyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate
SMILESCOC(=O)c1cc2n(C)c3ccccc3c(=O)n2n1
InChIInChI=1S/C13H11N3O3/c1-15-10-6-4-3-5-8(10)12(17)16-11(15)7-9(14-16)13(18)19-2/h3-7H,1-2H3
InChIKeyBIFCASXXNGVXFS-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.97
Rot. Bonds1

About methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate

methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate (PubChem CID 12552502) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate
PubChem CID12552502
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Namemethyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate
SMILESCOC(=O)c1cc2n(C)c3ccccc3c(=O)n2n1
InChIInChI=1S/C13H11N3O3/c1-15-10-6-4-3-5-8(10)12(17)16-11(15)7-9(14-16)13(18)19-2/h3-7H,1-2H3
InChIKeyBIFCASXXNGVXFS-UHFFFAOYSA-N
XLogP0.97
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-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 1-formyl-9-methylpyrido[3,4-b]indole-3-carboxylate
CID 11737244
methyl 9-methyl-1-phenylpyrido[3,4-b]indole-3-carboxylate
CID 11267059
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
CID 154227733
7-[(4-iodobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid
CID 19006273
7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid
CID 19006262
methyl 19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaene-10-carboxylate
CID 8016689
methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate
CID 13398396
methyl 1-hydroxy-9-methylcarbazole-3-carboxylate
CID 21192144
methyl 3-(2-hydroxybenzoyl)-1-methyl-2-oxoquinoline-5-carboxylate
CID 54758169
methyl 1-methyl-5-(1-methylindazol-3-yl)pyrrole-2-carboxylate
CID 58883428
methyl 1-methyl-6-oxopyrimidine-4-carboxylate
CID 141087181
methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate
CID 10704781

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate?
The IUPAC name of methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate (CID 12552502) is methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate?
The canonical SMILES for methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate is COC(=O)c1cc2n(C)c3ccccc3c(=O)n2n1.
What is the InChIKey of methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate?
The InChIKey is BIFCASXXNGVXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-15-10-6-4-3-5-8(10)12(17)16-11(15)7-9(14-16)13(18)19-2/h3-7H,1-2H3.
What are the key properties of methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate?
methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate is sourced from PubChem (CID 12552502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).