1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one

C20H22N4O — CID 25060727

IUPAC1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1nc(N)c2ccc(-n3cc(C)c4c3CC(C)(C)CC4=O)cc2n1
InChIInChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-15(7-13)22-12(2)23-19(14)21/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)
InChIKeyYDFQFHIQJUIYBH-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.77
Rot. Bonds1

About 1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one

1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one (PubChem CID 25060727) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
PubChem CID25060727
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one
SMILESCc1nc(N)c2ccc(-n3cc(C)c4c3CC(C)(C)CC4=O)cc2n1
InChIInChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-15(7-13)22-12(2)23-19(14)21/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)
InChIKeyYDFQFHIQJUIYBH-UHFFFAOYSA-N
XLogP3.77
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-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-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one (CID 25060727) is 1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one is Cc1nc(N)c2ccc(-n3cc(C)c4c3CC(C)(C)CC4=O)cc2n1.
What is the InChIKey of 1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
The InChIKey is YDFQFHIQJUIYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-15(7-13)22-12(2)23-19(14)21/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one?
1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one has a molecular weight of 334.42 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylquinazolin-7-yl)-3,6,6-trimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 25060727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).