1-(2-amino-8-methoxyquinazolin-4-yl)ethanone

C11H11N3O2 — CID 105470785

IUPAC1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
SMILESCOc1cccc2c(C(C)=O)nc(N)nc12
InChIInChI=1S/C11H11N3O2/c1-6(15)9-7-4-3-5-8(16-2)10(7)14-11(12)13-9/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyNLQWVHIFLLSZAL-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.42
Rot. Bonds2

About 1-(2-amino-8-methoxyquinazolin-4-yl)ethanone

1-(2-amino-8-methoxyquinazolin-4-yl)ethanone (PubChem CID 105470785) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-(2-amino-8-methoxyquinazolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
PubChem CID105470785
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
SMILESCOc1cccc2c(C(C)=O)nc(N)nc12
InChIInChI=1S/C11H11N3O2/c1-6(15)9-7-4-3-5-8(16-2)10(7)14-11(12)13-9/h3-5H,1-2H3,(H2,12,13,14)
InChIKeyNLQWVHIFLLSZAL-UHFFFAOYSA-N
XLogP1.42
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(8-methoxy-2-methylquinazolin-4-yl)ethanone
CID 105469677
1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one
CID 153060520
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945
1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one
CID 159292409
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342
2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
CID 122485352
1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
CID 161116178
2-amino-N-[[6-[(4-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444944
2-amino-N-[[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444984
2-amino-N-[(1R)-2-hydroxy-1-quinolin-2-ylethyl]-8-methoxyquinazoline-4-carboxamide
CID 122485233
2-amino-N-[[6-(cyclopentyloxymethyl)-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444911
8-methoxyquinazoline-4-carboxylic acid
CID 105455920

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-8-methoxyquinazolin-4-yl)ethanone?
The IUPAC name of 1-(2-amino-8-methoxyquinazolin-4-yl)ethanone (CID 105470785) is 1-(2-amino-8-methoxyquinazolin-4-yl)ethanone.
What is the SMILES notation for 1-(2-amino-8-methoxyquinazolin-4-yl)ethanone?
The canonical SMILES for 1-(2-amino-8-methoxyquinazolin-4-yl)ethanone is COc1cccc2c(C(C)=O)nc(N)nc12.
What is the InChIKey of 1-(2-amino-8-methoxyquinazolin-4-yl)ethanone?
The InChIKey is NLQWVHIFLLSZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-6(15)9-7-4-3-5-8(16-2)10(7)14-11(12)13-9/h3-5H,1-2H3,(H2,12,13,14).
What are the key properties of 1-(2-amino-8-methoxyquinazolin-4-yl)ethanone?
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone has a molecular weight of 217.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-8-methoxyquinazolin-4-yl)ethanone is sourced from PubChem (CID 105470785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).