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

C15H20N4O — CID 136808657

IUPAC6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one
SMILESNc1ccc2nc(NC3CCCCCC3)[nH]c(=O)c2c1
InChIInChI=1S/C15H20N4O/c16-10-7-8-13-12(9-10)14(20)19-15(18-13)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,16H2,(H2,17,18,19,20)
InChIKeyIIJFJWRHXVDCSL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.64
Rot. Bonds2

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

6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one (PubChem CID 136808657) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one
PubChem CID136808657
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one
SMILESNc1ccc2nc(NC3CCCCCC3)[nH]c(=O)c2c1
InChIInChI=1S/C15H20N4O/c16-10-7-8-13-12(9-10)14(20)19-15(18-13)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,16H2,(H2,17,18,19,20)
InChIKeyIIJFJWRHXVDCSL-UHFFFAOYSA-N
XLogP2.64
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one?
The IUPAC name of 6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one (CID 136808657) is 6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one?
The canonical SMILES for 6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one is Nc1ccc2nc(NC3CCCCCC3)[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one?
The InChIKey is IIJFJWRHXVDCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-10-7-8-13-12(9-10)14(20)19-15(18-13)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,16H2,(H2,17,18,19,20).
What are the key properties of 6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one?
6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one has a molecular weight of 272.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one is sourced from PubChem (CID 136808657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).