1-(8-methoxy-2-methylquinazolin-4-yl)ethanone

C12H12N2O2 — CID 105469677

IUPAC1-(8-methoxy-2-methylquinazolin-4-yl)ethanone
SMILESCOc1cccc2c(C(C)=O)nc(C)nc12
InChIInChI=1S/C12H12N2O2/c1-7(15)11-9-5-4-6-10(16-3)12(9)14-8(2)13-11/h4-6H,1-3H3
InChIKeyCSIFXDWLZAODOR-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.15
Rot. Bonds2

About 1-(8-methoxy-2-methylquinazolin-4-yl)ethanone

1-(8-methoxy-2-methylquinazolin-4-yl)ethanone (PubChem CID 105469677) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(8-methoxy-2-methylquinazolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(8-methoxy-2-methylquinazolin-4-yl)ethanone
PubChem CID105469677
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(8-methoxy-2-methylquinazolin-4-yl)ethanone
SMILESCOc1cccc2c(C(C)=O)nc(C)nc12
InChIInChI=1S/C12H12N2O2/c1-7(15)11-9-5-4-6-10(16-3)12(9)14-8(2)13-11/h4-6H,1-3H3
InChIKeyCSIFXDWLZAODOR-UHFFFAOYSA-N
XLogP2.15
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine
CID 105471300
8-methoxyquinazoline-4-carboxylic acid
CID 105455920
N-(8-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide
CID 136608254
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
1-(4-methoxy-1H-benzimidazol-2-yl)ethanone
CID 18316612
1-(8-methoxy-2-methylquinolin-5-yl)ethanone
CID 82576162
(E)-3-(8-methoxy-2-methylquinolin-4-yl)prop-2-enoic acid
CID 82449680
ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate
CID 87073372
acetic acid;1-methoxyphenazine
CID 174937212
1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one
CID 153060520
8-methoxy-4-(methylamino)quinoline-2-carboxylic acid
CID 84626797

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-2-methylquinazolin-4-yl)ethanone?
The IUPAC name of 1-(8-methoxy-2-methylquinazolin-4-yl)ethanone (CID 105469677) is 1-(8-methoxy-2-methylquinazolin-4-yl)ethanone.
What is the SMILES notation for 1-(8-methoxy-2-methylquinazolin-4-yl)ethanone?
The canonical SMILES for 1-(8-methoxy-2-methylquinazolin-4-yl)ethanone is COc1cccc2c(C(C)=O)nc(C)nc12.
What is the InChIKey of 1-(8-methoxy-2-methylquinazolin-4-yl)ethanone?
The InChIKey is CSIFXDWLZAODOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7(15)11-9-5-4-6-10(16-3)12(9)14-8(2)13-11/h4-6H,1-3H3.
What are the key properties of 1-(8-methoxy-2-methylquinazolin-4-yl)ethanone?
1-(8-methoxy-2-methylquinazolin-4-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-2-methylquinazolin-4-yl)ethanone is sourced from PubChem (CID 105469677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).