3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one

C14H13N3O — CID 135838205

IUPAC3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one
SMILESCCc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1
InChIInChI=1S/C14H13N3O/c1-2-8-3-4-9-5-6-11-12(10(9)7-8)13(18)17-14(15)16-11/h3-7H,2H2,1H3,(H3,15,16,17,18)
InChIKeyCXATXNKZINHFEL-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.22
Rot. Bonds1

About 3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one

3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one (PubChem CID 135838205) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one
PubChem CID135838205
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one
SMILESCCc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1
InChIInChI=1S/C14H13N3O/c1-2-8-3-4-9-5-6-11-12(10(9)7-8)13(18)17-14(15)16-11/h3-7H,2H2,1H3,(H3,15,16,17,18)
InChIKeyCXATXNKZINHFEL-UHFFFAOYSA-N
XLogP2.22
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one (CID 135838205) is 3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one is CCc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1.
What is the InChIKey of 3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one?
The InChIKey is CXATXNKZINHFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-8-3-4-9-5-6-11-12(10(9)7-8)13(18)17-14(15)16-11/h3-7H,2H2,1H3,(H3,15,16,17,18).
What are the key properties of 3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one?
3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one has a molecular weight of 239.28 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-9-ethyl-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).