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

C14H13N3O2 — CID 135838153

IUPAC3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one
SMILESCCOc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1
InChIInChI=1S/C14H13N3O2/c1-2-19-9-5-3-8-4-6-11-12(10(8)7-9)13(18)17-14(15)16-11/h3-7H,2H2,1H3,(H3,15,16,17,18)
InChIKeyPYLYBLKTDLQARJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.06
Rot. Bonds2

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

3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one (PubChem CID 135838153) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one
PubChem CID135838153
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one
SMILESCCOc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1
InChIInChI=1S/C14H13N3O2/c1-2-19-9-5-3-8-4-6-11-12(10(8)7-9)13(18)17-14(15)16-11/h3-7H,2H2,1H3,(H3,15,16,17,18)
InChIKeyPYLYBLKTDLQARJ-UHFFFAOYSA-N
XLogP2.06
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxyisoquinolin-1-amine
CID 82062973
3-amino-9-[(4-fluoroanilino)methyl]-2H-benzo[f]quinazolin-1-one
CID 135838219
8-ethoxybenzo[g][1,3]benzothiazol-2-amine
CID 21455590
2-amino-6-bromo-5-methoxy-3H-quinazolin-4-one;trihydrate
CID 137314152
2,7-diethoxy-10H-acridin-9-one
CID 163923657
6-chloro-2-ethoxyacridin-9-amine
CID 71700026
7-ethoxy-1H-quinolin-2-one
CID 123474288
(6-ethoxy-4-methylquinolin-2-yl)hydrazine
CID 82017717
7-ethoxy-2-oxo-1H-quinoline-3-carbaldehyde
CID 765517
5-ethoxy-1H-indazol-3-amine
CID 21409200
9-iodo-3-methyl-2H-benzo[f]quinazolin-1-one
CID 135838229
2,6-diethoxyanthracene
CID 12651989

Frequently Asked Questions

What is the IUPAC name of 3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one (CID 135838153) is 3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one is CCOc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1.
What is the InChIKey of 3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one?
The InChIKey is PYLYBLKTDLQARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-19-9-5-3-8-4-6-11-12(10(8)7-9)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-ethoxy-2H-benzo[f]quinazolin-1-one?
3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one has a molecular weight of 255.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-9-ethoxy-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).