1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one

C16H25N3O — CID 82007450

IUPAC1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one
SMILESCN1Cc2ccccc2N(CCCC(C)(C)CN)C1=O
InChIInChI=1S/C16H25N3O/c1-16(2,12-17)9-6-10-19-14-8-5-4-7-13(14)11-18(3)15(19)20/h4-5,7-8H,6,9-12,17H2,1-3H3
InChIKeySNRKQMIGUUFSSX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.82
Rot. Bonds5

About 1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one

1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one (PubChem CID 82007450) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one
PubChem CID82007450
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one
SMILESCN1Cc2ccccc2N(CCCC(C)(C)CN)C1=O
InChIInChI=1S/C16H25N3O/c1-16(2,12-17)9-6-10-19-14-8-5-4-7-13(14)11-18(3)15(19)20/h4-5,7-8H,6,9-12,17H2,1-3H3
InChIKeySNRKQMIGUUFSSX-UHFFFAOYSA-N
XLogP2.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one?
The IUPAC name of 1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one (CID 82007450) is 1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one.
What is the SMILES notation for 1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one?
The canonical SMILES for 1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one is CN1Cc2ccccc2N(CCCC(C)(C)CN)C1=O.
What is the InChIKey of 1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one?
The InChIKey is SNRKQMIGUUFSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,12-17)9-6-10-19-14-8-5-4-7-13(14)11-18(3)15(19)20/h4-5,7-8H,6,9-12,17H2,1-3H3.
What are the key properties of 1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one?
1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4,4-dimethylpentyl)-3-methyl-4H-quinazolin-2-one is sourced from PubChem (CID 82007450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).