3-amino-2-heptylquinazolin-4-one

C15H21N3O — CID 154013236

IUPAC3-amino-2-heptylquinazolin-4-one
SMILESCCCCCCCc1nc2ccccc2c(=O)n1N
InChIInChI=1S/C15H21N3O/c1-2-3-4-5-6-11-14-17-13-10-8-7-9-12(13)15(19)18(14)16/h7-10H,2-6,11,16H2,1H3
InChIKeyCAMBIFWQSGWPJM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.62
Rot. Bonds6

About 3-amino-2-heptylquinazolin-4-one

3-amino-2-heptylquinazolin-4-one (PubChem CID 154013236) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-amino-2-heptylquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-heptylquinazolin-4-one
PubChem CID154013236
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-amino-2-heptylquinazolin-4-one
SMILESCCCCCCCc1nc2ccccc2c(=O)n1N
InChIInChI=1S/C15H21N3O/c1-2-3-4-5-6-11-14-17-13-10-8-7-9-12(13)15(19)18(14)16/h7-10H,2-6,11,16H2,1H3
InChIKeyCAMBIFWQSGWPJM-UHFFFAOYSA-N
XLogP2.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-7-fluoro-2-pentylquinazolin-4-one
CID 162716107
3-amino-2-but-3-enylquinazolin-4-one
CID 12733618
2-ethyl-3-pentylquinazolin-4-one
CID 529110
3-amino-2-(2-hydroxy-2-phenylpropyl)quinazolin-4-one
CID 10541902
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-butyl-3-[2-(methylamino)phenyl]quinazolin-4-one
CID 71072745
2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine
CID 24989132
2-amino-3-butylquinazolin-4-one
CID 71653207
1-phenyl-2-tridecylbenzimidazole
CID 24821367
3-(3-butyl-4-oxoquinazolin-2-yl)propanoic acid
CID 61394549
2-benzyl-3-butylquinazolin-4-one
CID 12563436
3-hexyl-2-phenylquinazolin-4-one
CID 7559853

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-heptylquinazolin-4-one?
The IUPAC name of 3-amino-2-heptylquinazolin-4-one (CID 154013236) is 3-amino-2-heptylquinazolin-4-one.
What is the SMILES notation for 3-amino-2-heptylquinazolin-4-one?
The canonical SMILES for 3-amino-2-heptylquinazolin-4-one is CCCCCCCc1nc2ccccc2c(=O)n1N.
What is the InChIKey of 3-amino-2-heptylquinazolin-4-one?
The InChIKey is CAMBIFWQSGWPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-3-4-5-6-11-14-17-13-10-8-7-9-12(13)15(19)18(14)16/h7-10H,2-6,11,16H2,1H3.
What are the key properties of 3-amino-2-heptylquinazolin-4-one?
3-amino-2-heptylquinazolin-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-heptylquinazolin-4-one is sourced from PubChem (CID 154013236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).