2-amino-6,7-dimethoxy-4aH-quinazolin-4-one

C10H11N3O3 — CID 45025720

IUPAC2-amino-6,7-dimethoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC(N)=NC(=O)C2C=C1OC
InChIInChI=1S/C10H11N3O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-5H,1-2H3,(H2,11,13,14)
InChIKeyBSGVTXQUBCJYLO-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.03
Rot. Bonds2

About 2-amino-6,7-dimethoxy-4aH-quinazolin-4-one

2-amino-6,7-dimethoxy-4aH-quinazolin-4-one (PubChem CID 45025720) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-amino-6,7-dimethoxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6,7-dimethoxy-4aH-quinazolin-4-one
PubChem CID45025720
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-amino-6,7-dimethoxy-4aH-quinazolin-4-one
SMILESCOC1=CC2=NC(N)=NC(=O)C2C=C1OC
InChIInChI=1S/C10H11N3O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-5H,1-2H3,(H2,11,13,14)
InChIKeyBSGVTXQUBCJYLO-UHFFFAOYSA-N
XLogP-0.03
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-6-methoxy-4aH-quinazolin-4-one
CID 72207288
5-fluoro-7-methoxy-4aH-quinazolin-4-one
CID 77309909
7-(difluoromethoxy)-6-methoxy-4aH-quinazolin-4-one
CID 178191001
6,7-bis(2-methoxyethoxy)-4aH-quinazolin-4-one
CID 71651003
6,7-dimethoxy-4aH-quinazolin-4-one
CID 71303885
6-hydroxy-7-methoxy-4aH-quinazolin-4-one
CID 71303970
2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one;hydrochloride
CID 71628081
2-(ethylaminomethyl)-6,7-dimethoxy-4aH-quinazolin-4-one
CID 71628082
(7-methoxy-4-oxo-4aH-quinazolin-6-yl) acetate
CID 71650931
6-amino-7-methoxy-4aH-quinazolin-4-one
CID 72738410
4(3H)-Quinazolinone, 6,7-diethoxy-
CID 73025681
5,7-dimethoxy-4aH-quinazolin-4-one
CID 73158327

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethoxy-4aH-quinazolin-4-one?
The IUPAC name of 2-amino-6,7-dimethoxy-4aH-quinazolin-4-one (CID 45025720) is 2-amino-6,7-dimethoxy-4aH-quinazolin-4-one.
What is the SMILES notation for 2-amino-6,7-dimethoxy-4aH-quinazolin-4-one?
The canonical SMILES for 2-amino-6,7-dimethoxy-4aH-quinazolin-4-one is COC1=CC2=NC(N)=NC(=O)C2C=C1OC.
What is the InChIKey of 2-amino-6,7-dimethoxy-4aH-quinazolin-4-one?
The InChIKey is BSGVTXQUBCJYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-15-7-3-5-6(4-8(7)16-2)12-10(11)13-9(5)14/h3-5H,1-2H3,(H2,11,13,14).
What are the key properties of 2-amino-6,7-dimethoxy-4aH-quinazolin-4-one?
2-amino-6,7-dimethoxy-4aH-quinazolin-4-one has a molecular weight of 221.22 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethoxy-4aH-quinazolin-4-one is sourced from PubChem (CID 45025720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).