6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one

C15H20N4O — CID 136809226

IUPAC6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one
SMILESCCC1CCC(C)N1c1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H20N4O/c1-3-11-6-4-9(2)19(11)15-17-13-7-5-10(16)8-12(13)14(20)18-15/h5,7-9,11H,3-4,6,16H2,1-2H3,(H,17,18,20)
InChIKeyRHMAWIRFMHMANL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.27
Rot. Bonds2

About 6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one

6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one (PubChem CID 136809226) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one
PubChem CID136809226
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one
SMILESCCC1CCC(C)N1c1nc2ccc(N)cc2c(=O)[nH]1
InChIInChI=1S/C15H20N4O/c1-3-11-6-4-9(2)19(11)15-17-13-7-5-10(16)8-12(13)14(20)18-15/h5,7-9,11H,3-4,6,16H2,1-2H3,(H,17,18,20)
InChIKeyRHMAWIRFMHMANL-UHFFFAOYSA-N
XLogP2.27
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-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

Related Compounds

6-amino-2-(3-methylpiperidin-1-yl)-3H-quinazolin-4-one
CID 136808516
6-amino-2-(4-methylpiperazin-1-yl)-3H-quinazolin-4-one
CID 136808513
6-amino-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3H-quinazolin-4-one
CID 136809137
6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
CID 136808511
6-amino-2-[cyclopropyl(ethyl)amino]-3H-quinazolin-4-one
CID 136808661
6-amino-2-[(2-methylcyclopentyl)methylamino]-3H-quinazolin-4-one
CID 136867407
6-amino-2-[(2-ethyloxolan-3-yl)methylamino]-3H-quinazolin-4-one
CID 136695052
1-(6-amino-4-oxo-3H-quinazolin-2-yl)pyrrole-2-carbonitrile
CID 136809425
6-amino-2-[(1-methylpiperidin-2-yl)methoxy]-3H-quinazolin-4-one
CID 136809550
6-amino-2-propylsulfanyl-3H-quinazolin-4-one
CID 136809622
6-amino-2-[(2-methylcyclopentyl)amino]-3H-quinazolin-4-one
CID 136809007
6-amino-2-[(2-methylcyclohexyl)amino]-3H-quinazolin-4-one
CID 136808573

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one (CID 136809226) is 6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one is CCC1CCC(C)N1c1nc2ccc(N)cc2c(=O)[nH]1.
What is the InChIKey of 6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one?
The InChIKey is RHMAWIRFMHMANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-11-6-4-9(2)19(11)15-17-13-7-5-10(16)8-12(13)14(20)18-15/h5,7-9,11H,3-4,6,16H2,1-2H3,(H,17,18,20).
What are the key properties of 6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one?
6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one has a molecular weight of 272.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 136809226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).