7-ethoxy-6-hydroxy-4aH-quinazolin-4-one

C10H10N2O3 — CID 73412209

IUPAC7-ethoxy-6-hydroxy-4aH-quinazolin-4-one
SMILESCCOC1=CC2=NC=NC(=O)C2C=C1O
InChIInChI=1S/C10H10N2O3/c1-2-15-9-4-7-6(3-8(9)13)10(14)12-5-11-7/h3-6,13H,2H2,1H3
InChIKeyYSYOJHRMEFMUOM-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.99
Rot. Bonds2

About 7-ethoxy-6-hydroxy-4aH-quinazolin-4-one

7-ethoxy-6-hydroxy-4aH-quinazolin-4-one (PubChem CID 73412209) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 7-ethoxy-6-hydroxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name7-ethoxy-6-hydroxy-4aH-quinazolin-4-one
PubChem CID73412209
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name7-ethoxy-6-hydroxy-4aH-quinazolin-4-one
SMILESCCOC1=CC2=NC=NC(=O)C2C=C1O
InChIInChI=1S/C10H10N2O3/c1-2-15-9-4-7-6(3-8(9)13)10(14)12-5-11-7/h3-6,13H,2H2,1H3
InChIKeyYSYOJHRMEFMUOM-UHFFFAOYSA-N
XLogP0.99
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-6-methoxy-4aH-quinazolin-4-one
CID 72207288
7-(difluoromethoxy)-6-methoxy-4aH-quinazolin-4-one
CID 178191001
6,7-bis(2-methoxyethoxy)-4aH-quinazolin-4-one
CID 71651003
2-amino-6,7-dimethoxy-4aH-quinazolin-4-one
CID 45025720
6,7-dimethoxy-4aH-quinazolin-4-one
CID 71303885
6-hydroxy-7-methoxy-4aH-quinazolin-4-one
CID 71303970
(7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate
CID 71650931
4(3H)-Quinazolinone, 6,7-diethoxy-
CID 73025681
6-methoxy-7-[2-(2-methoxyethoxy)ethoxy]-4aH-quinazolin-4-one
CID 73860538
(6-methoxy-4-oxo-4aH-quinazolin-7-yl) acetate
CID 73877463
6-ethoxy-7-methoxy-4aH-quinazolin-4-one
CID 76845612
7-methoxy-4aH-quinazolin-4-one
CID 76845686

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-hydroxy-4aH-quinazolin-4-one?
The IUPAC name of 7-ethoxy-6-hydroxy-4aH-quinazolin-4-one (CID 73412209) is 7-ethoxy-6-hydroxy-4aH-quinazolin-4-one.
What is the SMILES notation for 7-ethoxy-6-hydroxy-4aH-quinazolin-4-one?
The canonical SMILES for 7-ethoxy-6-hydroxy-4aH-quinazolin-4-one is CCOC1=CC2=NC=NC(=O)C2C=C1O.
What is the InChIKey of 7-ethoxy-6-hydroxy-4aH-quinazolin-4-one?
The InChIKey is YSYOJHRMEFMUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-15-9-4-7-6(3-8(9)13)10(14)12-5-11-7/h3-6,13H,2H2,1H3.
What are the key properties of 7-ethoxy-6-hydroxy-4aH-quinazolin-4-one?
7-ethoxy-6-hydroxy-4aH-quinazolin-4-one has a molecular weight of 206.20 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-hydroxy-4aH-quinazolin-4-one is sourced from PubChem (CID 73412209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).