1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one

C19H20N4O — CID 25063092

IUPAC1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1-c1ccc3c(N)ncnc3c1)CC(C)(C)CC2=O
InChIInChI=1S/C19H20N4O/c1-11-6-14-16(8-19(2,3)9-17(14)24)23(11)12-4-5-13-15(7-12)21-10-22-18(13)20/h4-7,10H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyGZYLTCACCHHUBR-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.47
Rot. Bonds1

About 1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one

1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 25063092) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID25063092
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1cc2c(n1-c1ccc3c(N)ncnc3c1)CC(C)(C)CC2=O
InChIInChI=1S/C19H20N4O/c1-11-6-14-16(8-19(2,3)9-17(14)24)23(11)12-4-5-13-15(7-12)21-10-22-18(13)20/h4-7,10H,8-9H2,1-3H3,(H2,20,21,22)
InChIKeyGZYLTCACCHHUBR-UHFFFAOYSA-N
XLogP3.47
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-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)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one (CID 25063092) is 1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is Cc1cc2c(n1-c1ccc3c(N)ncnc3c1)CC(C)(C)CC2=O.
What is the InChIKey of 1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is GZYLTCACCHHUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-11-6-14-16(8-19(2,3)9-17(14)24)23(11)12-4-5-13-15(7-12)21-10-22-18(13)20/h4-7,10H,8-9H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one?
1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one has a molecular weight of 320.40 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 25063092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).