1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate

C12H11N4O2- — CID 143697717

IUPAC1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
SMILESCc1ncc2c(n1)-c1c(c(C(=O)[O-])nn1C)CC2
InChIInChI=1S/C12H12N4O2/c1-6-13-5-7-3-4-8-10(12(17)18)15-16(2)11(8)9(7)14-6/h5H,3-4H2,1-2H3,(H,17,18)/p-1
InChIKeySSXSRHQMIYIEHW-UHFFFAOYSA-M
MW243.25 g/mol
LogP-0.35
Rot. Bonds1

About 1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate

1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate (PubChem CID 143697717) has the molecular formula C12H11N4O2- and a molecular weight of 243.25 g/mol. Its IUPAC name is 1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate.

Molecular Properties

Compound Name1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
PubChem CID143697717
Molecular FormulaC12H11N4O2-
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC Name1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
SMILESCc1ncc2c(n1)-c1c(c(C(=O)[O-])nn1C)CC2
InChIInChI=1S/C12H12N4O2/c1-6-13-5-7-3-4-8-10(12(17)18)15-16(2)11(8)9(7)14-6/h5H,3-4H2,1-2H3,(H,17,18)/p-1
InChIKeySSXSRHQMIYIEHW-UHFFFAOYSA-M
XLogP-0.35
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
The IUPAC name of 1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate (CID 143697717) is 1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate.
What is the SMILES notation for 1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
The canonical SMILES for 1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate is Cc1ncc2c(n1)-c1c(c(C(=O)[O-])nn1C)CC2.
What is the InChIKey of 1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
The InChIKey is SSXSRHQMIYIEHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N4O2/c1-6-13-5-7-3-4-8-10(12(17)18)15-16(2)11(8)9(7)14-6/h5H,3-4H2,1-2H3,(H,17,18)/p-1.
What are the key properties of 1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate has a molecular weight of 243.25 g/mol, XLogP of -0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate is sourced from PubChem (CID 143697717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).