6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

C17H25N3O — CID 107178147

IUPAC6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(N)C3CCCC3(C)C)ccc2NC1=O
InChIInChI=1S/C17H25N3O/c1-17(2)8-4-5-13(17)15(18)11-6-7-14-12(9-11)10-20(3)16(21)19-14/h6-7,9,13,15H,4-5,8,10,18H2,1-3H3,(H,19,21)
InChIKeyYBQQWPUNLOMSPW-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.49
Rot. Bonds2

About 6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 107178147) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID107178147
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCN1Cc2cc(C(N)C3CCCC3(C)C)ccc2NC1=O
InChIInChI=1S/C17H25N3O/c1-17(2)8-4-5-13(17)15(18)11-6-7-14-12(9-11)10-20(3)16(21)19-14/h6-7,9,13,15H,4-5,8,10,18H2,1-3H3,(H,19,21)
InChIKeyYBQQWPUNLOMSPW-UHFFFAOYSA-N
XLogP3.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-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 6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 107178147) is 6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is CN1Cc2cc(C(N)C3CCCC3(C)C)ccc2NC1=O.
What is the InChIKey of 6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is YBQQWPUNLOMSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2)8-4-5-13(17)15(18)11-6-7-14-12(9-11)10-20(3)16(21)19-14/h6-7,9,13,15H,4-5,8,10,18H2,1-3H3,(H,19,21).
What are the key properties of 6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 287.41 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(2,2-dimethylcyclopentyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 107178147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).