6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one

C15H23N3O — CID 82010395

IUPAC6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCCCCCC(N)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C15H23N3O/c1-3-4-5-6-13(16)11-7-8-14-12(9-11)10-18(2)15(19)17-14/h7-9,13H,3-6,10,16H2,1-2H3,(H,17,19)
InChIKeyYBSZOGUCAGQYEZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.24
Rot. Bonds5

About 6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one

6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82010395) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82010395
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCCCCCC(N)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C15H23N3O/c1-3-4-5-6-13(16)11-7-8-14-12(9-11)10-18(2)15(19)17-14/h7-9,13H,3-6,10,16H2,1-2H3,(H,17,19)
InChIKeyYBSZOGUCAGQYEZ-UHFFFAOYSA-N
XLogP3.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one (CID 82010395) is 6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one is CCCCCC(N)c1ccc2c(c1)CN(C)C(=O)N2.
What is the InChIKey of 6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is YBSZOGUCAGQYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-4-5-6-13(16)11-7-8-14-12(9-11)10-18(2)15(19)17-14/h7-9,13H,3-6,10,16H2,1-2H3,(H,17,19).
What are the key properties of 6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one?
6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 261.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82010395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).