6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one

C15H20N4O2 — CID 136809039

IUPAC6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one
SMILESNc1ccc2nc(NCCOC3CCCC3)[nH]c(=O)c2c1
InChIInChI=1S/C15H20N4O2/c16-10-5-6-13-12(9-10)14(20)19-15(18-13)17-7-8-21-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2,(H2,17,18,19,20)
InChIKeySJJOHHFJWZETSW-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.88
Rot. Bonds5

About 6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one

6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one (PubChem CID 136809039) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one
PubChem CID136809039
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one
SMILESNc1ccc2nc(NCCOC3CCCC3)[nH]c(=O)c2c1
InChIInChI=1S/C15H20N4O2/c16-10-5-6-13-12(9-10)14(20)19-15(18-13)17-7-8-21-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2,(H2,17,18,19,20)
InChIKeySJJOHHFJWZETSW-UHFFFAOYSA-N
XLogP1.88
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one (CID 136809039) is 6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one is Nc1ccc2nc(NCCOC3CCCC3)[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one?
The InChIKey is SJJOHHFJWZETSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-10-5-6-13-12(9-10)14(20)19-15(18-13)17-7-8-21-11-3-1-2-4-11/h5-6,9,11H,1-4,7-8,16H2,(H2,17,18,19,20).
What are the key properties of 6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one?
6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one has a molecular weight of 288.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-cyclopentyloxyethylamino)-3H-quinazolin-4-one is sourced from PubChem (CID 136809039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).