6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one

C12H10N2O3 — CID 162383554

IUPAC6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]c(C)nc2c2occc12
InChIInChI=1S/C12H10N2O3/c1-6-13-10-8(12(15)14-6)5-9(16-2)7-3-4-17-11(7)10/h3-5H,1-2H3,(H,13,14,15)
InChIKeyKKXGTBTVQVXTKT-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.99
Rot. Bonds1

About 6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one

6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one (PubChem CID 162383554) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one
PubChem CID162383554
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one
SMILESCOc1cc2c(=O)[nH]c(C)nc2c2occc12
InChIInChI=1S/C12H10N2O3/c1-6-13-10-8(12(15)14-6)5-9(16-2)7-3-4-17-11(7)10/h3-5H,1-2H3,(H,13,14,15)
InChIKeyKKXGTBTVQVXTKT-UHFFFAOYSA-N
XLogP1.99
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one?
The IUPAC name of 6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one (CID 162383554) is 6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one.
What is the SMILES notation for 6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one?
The canonical SMILES for 6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one is COc1cc2c(=O)[nH]c(C)nc2c2occc12.
What is the InChIKey of 6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one?
The InChIKey is KKXGTBTVQVXTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-6-13-10-8(12(15)14-6)5-9(16-2)7-3-4-17-11(7)10/h3-5H,1-2H3,(H,13,14,15).
What are the key properties of 6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one?
6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one has a molecular weight of 230.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3H-furo[3,2-h]quinazolin-4-one is sourced from PubChem (CID 162383554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).