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

C12H15N3O — CID 105471300

IUPAC1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine
SMILESCOc1cccc2c(C(C)N)nc(C)nc12
InChIInChI=1S/C12H15N3O/c1-7(13)11-9-5-4-6-10(16-3)12(9)15-8(2)14-11/h4-7H,13H2,1-3H3
InChIKeyWFDQWXSIYWAQPP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.97
Rot. Bonds2

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

1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine (PubChem CID 105471300) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine
PubChem CID105471300
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine
SMILESCOc1cccc2c(C(C)N)nc(C)nc12
InChIInChI=1S/C12H15N3O/c1-7(13)11-9-5-4-6-10(16-3)12(9)15-8(2)14-11/h4-7H,13H2,1-3H3
InChIKeyWFDQWXSIYWAQPP-UHFFFAOYSA-N
XLogP1.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine
CID 105499800
1-(7-methoxy-2H-indazol-3-yl)ethanamine
CID 112714941
1-(8-methoxy-2-methylquinazolin-4-yl)ethanone
CID 105469677
1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine
CID 82451910
1-(6-methoxy-2-methylquinazolin-4-yl)ethanamine
CID 105471312
4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline
CID 62913697
1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)ethanamine
CID 83850107
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
8-fluoro-2-methyl-4-propan-2-ylquinazoline
CID 139473937
(8-methoxy-4-methylquinazolin-2-yl)methanamine
CID 84777278
3-ethyl-8-methoxy-2-methylquinolin-4-amine
CID 62203733
2-(7-methoxy-2H-indazol-3-yl)propan-1-amine
CID 83908733

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine?
The IUPAC name of 1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine (CID 105471300) is 1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine.
What is the SMILES notation for 1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine?
The canonical SMILES for 1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine is COc1cccc2c(C(C)N)nc(C)nc12.
What is the InChIKey of 1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine?
The InChIKey is WFDQWXSIYWAQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7(13)11-9-5-4-6-10(16-3)12(9)15-8(2)14-11/h4-7H,13H2,1-3H3.
What are the key properties of 1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine?
1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine is sourced from PubChem (CID 105471300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).