6-amino-7-methoxy-4aH-quinazolin-4-one

C9H9N3O2 — CID 72738410

IUPAC6-amino-7-methoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC=NC(=O)C2C=C1N
InChIInChI=1S/C9H9N3O2/c1-14-8-3-7-5(2-6(8)10)9(13)12-4-11-7/h2-5H,10H2,1H3
InChIKeyAWUBEJVURCBEEG-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.00
Rot. Bonds1

About 6-amino-7-methoxy-4aH-quinazolin-4-one

6-amino-7-methoxy-4aH-quinazolin-4-one (PubChem CID 72738410) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-amino-7-methoxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name6-amino-7-methoxy-4aH-quinazolin-4-one
PubChem CID72738410
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name6-amino-7-methoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC=NC(=O)C2C=C1N
InChIInChI=1S/C9H9N3O2/c1-14-8-3-7-5(2-6(8)10)9(13)12-4-11-7/h2-5H,10H2,1H3
InChIKeyAWUBEJVURCBEEG-UHFFFAOYSA-N
XLogP-0.00
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-6-methoxy-4aH-quinazolin-4-one
CID 72207288
2-amino-6,7-dimethoxy-4aH-quinazolin-4-one
CID 45025720
6,7-dimethoxy-4aH-quinazolin-4-one
CID 71303885
6-methoxy-7-nitro-4aH-quinazolin-4-one
CID 76845626
7-methoxy-6-nitro-4aH-quinazolin-4-one
CID 76845685
7-methoxy-4aH-quinazolin-4-one
CID 76845686

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-methoxy-4aH-quinazolin-4-one?
The IUPAC name of 6-amino-7-methoxy-4aH-quinazolin-4-one (CID 72738410) is 6-amino-7-methoxy-4aH-quinazolin-4-one.
What is the SMILES notation for 6-amino-7-methoxy-4aH-quinazolin-4-one?
The canonical SMILES for 6-amino-7-methoxy-4aH-quinazolin-4-one is COC1=CC2=NC=NC(=O)C2C=C1N.
What is the InChIKey of 6-amino-7-methoxy-4aH-quinazolin-4-one?
The InChIKey is AWUBEJVURCBEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-8-3-7-5(2-6(8)10)9(13)12-4-11-7/h2-5H,10H2,1H3.
What are the key properties of 6-amino-7-methoxy-4aH-quinazolin-4-one?
6-amino-7-methoxy-4aH-quinazolin-4-one has a molecular weight of 191.19 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-methoxy-4aH-quinazolin-4-one is sourced from PubChem (CID 72738410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).