1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one

C18H19N5O — CID 25062832

IUPAC1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
SMILESCc1nn(-c2ccc3c(N)ncnc3c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H19N5O/c1-10-16-14(7-18(2,3)8-15(16)24)23(22-10)11-4-5-12-13(6-11)20-9-21-17(12)19/h4-6,9H,7-8H2,1-3H3,(H2,19,20,21)
InChIKeyKXPMFHBHSVJEJF-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.86
Rot. Bonds1

About 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one

1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one (PubChem CID 25062832) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
PubChem CID25062832
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one
SMILESCc1nn(-c2ccc3c(N)ncnc3c2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C18H19N5O/c1-10-16-14(7-18(2,3)8-15(16)24)23(22-10)11-4-5-12-13(6-11)20-9-21-17(12)19/h4-6,9H,7-8H2,1-3H3,(H2,19,20,21)
InChIKeyKXPMFHBHSVJEJF-UHFFFAOYSA-N
XLogP2.86
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one 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 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The IUPAC name of 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one (CID 25062832) is 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The canonical SMILES for 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one is Cc1nn(-c2ccc3c(N)ncnc3c2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
The InChIKey is KXPMFHBHSVJEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-10-16-14(7-18(2,3)8-15(16)24)23(22-10)11-4-5-12-13(6-11)20-9-21-17(12)19/h4-6,9H,7-8H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one?
1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one has a molecular weight of 321.38 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminoquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 25062832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).