2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide

C17H22N4O — CID 118273064

IUPAC2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide
SMILESCCCN(C)C(=O)c1nc(N)nc2ccc(C3CCC3)cc12
InChIInChI=1S/C17H22N4O/c1-3-9-21(2)16(22)15-13-10-12(11-5-4-6-11)7-8-14(13)19-17(18)20-15/h7-8,10-11H,3-6,9H2,1-2H3,(H2,18,19,20)
InChIKeyDUKLICRCAWYTBQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.96
Rot. Bonds4

About 2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide

2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide (PubChem CID 118273064) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide
PubChem CID118273064
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide
SMILESCCCN(C)C(=O)c1nc(N)nc2ccc(C3CCC3)cc12
InChIInChI=1S/C17H22N4O/c1-3-9-21(2)16(22)15-13-10-12(11-5-4-6-11)7-8-14(13)19-17(18)20-15/h7-8,10-11H,3-6,9H2,1-2H3,(H2,18,19,20)
InChIKeyDUKLICRCAWYTBQ-UHFFFAOYSA-N
XLogP2.96
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-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 2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide?
The IUPAC name of 2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide (CID 118273064) is 2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide is CCCN(C)C(=O)c1nc(N)nc2ccc(C3CCC3)cc12.
What is the InChIKey of 2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide?
The InChIKey is DUKLICRCAWYTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-9-21(2)16(22)15-13-10-12(11-5-4-6-11)7-8-14(13)19-17(18)20-15/h7-8,10-11H,3-6,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide?
2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclobutyl-N-methyl-N-propylquinazoline-4-carboxamide is sourced from PubChem (CID 118273064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).