8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C18H17N7O2 — CID 46887102

IUPAC8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3C(N)=O)ncc1CC2
InChIInChI=1S/C18H17N7O2/c1-25-15-11(14(24-25)17(20)27)7-6-9-8-21-18(23-13(9)15)22-12-5-3-2-4-10(12)16(19)26/h2-5,8H,6-7H2,1H3,(H2,19,26)(H2,20,27)(H,21,22,23)
InChIKeyAMVGWQXCPUQNTI-UHFFFAOYSA-N
MW363.38 g/mol
LogP0.92
Rot. Bonds4

About 8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 46887102) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID46887102
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3C(N)=O)ncc1CC2
InChIInChI=1S/C18H17N7O2/c1-25-15-11(14(24-25)17(20)27)7-6-9-8-21-18(23-13(9)15)22-12-5-3-2-4-10(12)16(19)26/h2-5,8H,6-7H2,1H3,(H2,19,26)(H2,20,27)(H,21,22,23)
InChIKeyAMVGWQXCPUQNTI-UHFFFAOYSA-N
XLogP0.92
TPSA141.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 46887102) is 8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3C(N)=O)ncc1CC2.
What is the InChIKey of 8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is AMVGWQXCPUQNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-25-15-11(14(24-25)17(20)27)7-6-9-8-21-18(23-13(9)15)22-12-5-3-2-4-10(12)16(19)26/h2-5,8H,6-7H2,1H3,(H2,19,26)(H2,20,27)(H,21,22,23).
What are the key properties of 8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-carbamoylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 46887102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).