2-ethoxybenzo[h]quinazoline

C14H12N2O — CID 141466495

IUPAC2-ethoxybenzo[h]quinazoline
SMILESCCOc1ncc2ccc3ccccc3c2n1
InChIInChI=1S/C14H12N2O/c1-2-17-14-15-9-11-8-7-10-5-3-4-6-12(10)13(11)16-14/h3-9H,2H2,1H3
InChIKeyLQDLEIAMVOPOGP-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.18
Rot. Bonds2

About 2-ethoxybenzo[h]quinazoline

2-ethoxybenzo[h]quinazoline (PubChem CID 141466495) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-ethoxybenzo[h]quinazoline.

Molecular Properties

Compound Name2-ethoxybenzo[h]quinazoline
PubChem CID141466495
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-ethoxybenzo[h]quinazoline
SMILESCCOc1ncc2ccc3ccccc3c2n1
InChIInChI=1S/C14H12N2O/c1-2-17-14-15-9-11-8-7-10-5-3-4-6-12(10)13(11)16-14/h3-9H,2H2,1H3
InChIKeyLQDLEIAMVOPOGP-UHFFFAOYSA-N
XLogP3.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylbenzo[h]quinazoline
CID 15811350
ethoxyethane;phenanthrene
CID 174652079
2-ethoxy-N-(2-ethoxypyrimidin-5-yl)naphthalene-1-carboxamide
CID 122301952
N-(2-ethoxypyrimidin-5-yl)naphthalene-1-sulfonamide
CID 122302123
2-ethoxy-4-methylquinazoline
CID 119090312
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
N-(2,4-diethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122304411
1-ethoxyphenanthrene
CID 19828992
1-ethoxy-2-methoxynaphthalene
CID 45093938
5-ethoxy-2-naphthalen-1-yl-1,3-thiazole
CID 57148590
2-ethoxyquinazolin-6-ol
CID 162739873

Frequently Asked Questions

What is the IUPAC name of 2-ethoxybenzo[h]quinazoline?
The IUPAC name of 2-ethoxybenzo[h]quinazoline (CID 141466495) is 2-ethoxybenzo[h]quinazoline.
What is the SMILES notation for 2-ethoxybenzo[h]quinazoline?
The canonical SMILES for 2-ethoxybenzo[h]quinazoline is CCOc1ncc2ccc3ccccc3c2n1.
What is the InChIKey of 2-ethoxybenzo[h]quinazoline?
The InChIKey is LQDLEIAMVOPOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-17-14-15-9-11-8-7-10-5-3-4-6-12(10)13(11)16-14/h3-9H,2H2,1H3.
What are the key properties of 2-ethoxybenzo[h]quinazoline?
2-ethoxybenzo[h]quinazoline has a molecular weight of 224.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybenzo[h]quinazoline is sourced from PubChem (CID 141466495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).