2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one

C11H10N2O3 — CID 135573284

IUPAC2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one
SMILESCc1nc2cc3c(cc2c(=O)[nH]1)OCCO3
InChIInChI=1S/C11H10N2O3/c1-6-12-8-5-10-9(15-2-3-16-10)4-7(8)11(14)13-6/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyOPSBTQKDBCTKSL-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.00
Rot. Bonds

About 2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one

2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one (PubChem CID 135573284) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one
PubChem CID135573284
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one
SMILESCc1nc2cc3c(cc2c(=O)[nH]1)OCCO3
InChIInChI=1S/C11H10N2O3/c1-6-12-8-5-10-9(15-2-3-16-10)4-7(8)11(14)13-6/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyOPSBTQKDBCTKSL-UHFFFAOYSA-N
XLogP1.00
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione
CID 120081
6,7-Bis(2-methoxyethoxy)quinazolin-4(3H)-one
CID 135409305
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
1-(7-Amino-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one
CID 2834221
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-(7-(4-Methylbenzoyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
CID 1252935
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491
N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
CID 2810066

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one?
The IUPAC name of 2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one (CID 135573284) is 2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one.
What is the SMILES notation for 2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one?
The canonical SMILES for 2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one is Cc1nc2cc3c(cc2c(=O)[nH]1)OCCO3.
What is the InChIKey of 2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one?
The InChIKey is OPSBTQKDBCTKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6-12-8-5-10-9(15-2-3-16-10)4-7(8)11(14)13-6/h4-5H,2-3H2,1H3,(H,12,13,14).
What are the key properties of 2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one?
2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one has a molecular weight of 218.21 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7,8-dihydro-3H-[1,4]dioxino[2,3-g]quinazolin-4-one is sourced from PubChem (CID 135573284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).