6,7-dimethoxy-2-methyl-3H-quinazolin-4-one

C11H12N2O3 — CID 135427503

IUPAC6,7-dimethoxy-2-methyl-3H-quinazolin-4-one
SMILESCOc1cc2nc(C)[nH]c(=O)c2cc1OC
InChIInChI=1S/C11H12N2O3/c1-6-12-8-5-10(16-3)9(15-2)4-7(8)11(14)13-6/h4-5H,1-3H3,(H,12,13,14)
InChIKeyWMDKXNXSIGTHGJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.25
Rot. Bonds2

About 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one

6,7-dimethoxy-2-methyl-3H-quinazolin-4-one (PubChem CID 135427503) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-3H-quinazolin-4-one
PubChem CID135427503
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6,7-dimethoxy-2-methyl-3H-quinazolin-4-one
SMILESCOc1cc2nc(C)[nH]c(=O)c2cc1OC
InChIInChI=1S/C11H12N2O3/c1-6-12-8-5-10(16-3)9(15-2)4-7(8)11(14)13-6/h4-5H,1-3H3,(H,12,13,14)
InChIKeyWMDKXNXSIGTHGJ-UHFFFAOYSA-N
XLogP1.25
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione
CID 120081
2-(3-hydroxy-4-methoxyphenyl)-3H-quinazolin-4-one
CID 136044076
6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one
CID 135409305
4-chloro-N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399509
N-(6,7-dimethoxy-4-oxo-1,4-dihydroquinazolin-2-yl)benzamide
CID 135399549
2-(3,4-dimethoxyphenyl)-3H-quinazolin-4-one
CID 135484663
6-Methoxy-2-methylquinazolin-4-ol
CID 135449497
6,7-Dimethoxy-3H-quinazolin-4-one
CID 135495016
7-Benzyloxy-6-methoxy-3H-quinazolin-4-one
CID 135404718
7-Methoxy-6-(3-morpholin-4-yl-propoxy)-3H-quinazolin-4-one
CID 135399673
N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
CID 2810066
3-Amino-2-cyclobutyl-6,7-dimethoxy-3H-quinazolin-4-one
CID 6488201

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one (CID 135427503) is 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one is COc1cc2nc(C)[nH]c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one?
The InChIKey is WMDKXNXSIGTHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6-12-8-5-10(16-3)9(15-2)4-7(8)11(14)13-6/h4-5H,1-3H3,(H,12,13,14).
What are the key properties of 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one?
6,7-dimethoxy-2-methyl-3H-quinazolin-4-one has a molecular weight of 220.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135427503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).