1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine

C11H12ClN3O — CID 105499800

IUPAC1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine
SMILESCOc1cccc2c(C(C)N)nc(Cl)nc12
InChIInChI=1S/C11H12ClN3O/c1-6(13)9-7-4-3-5-8(16-2)10(7)15-11(12)14-9/h3-6H,13H2,1-2H3
InChIKeyZZZZIPICFQJTEZ-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.31
Rot. Bonds2

About 1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine

1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine (PubChem CID 105499800) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine
PubChem CID105499800
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine
SMILESCOc1cccc2c(C(C)N)nc(Cl)nc12
InChIInChI=1S/C11H12ClN3O/c1-6(13)9-7-4-3-5-8(16-2)10(7)15-11(12)14-9/h3-6H,13H2,1-2H3
InChIKeyZZZZIPICFQJTEZ-UHFFFAOYSA-N
XLogP2.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine
CID 105471300
2-chloro-8-methoxy-4-methylquinazoline
CID 59199295
1-(7-methoxy-2H-indazol-3-yl)ethanamine
CID 112714941
4-chloro-8-methoxy-2-methyl-3-propan-2-ylquinoline
CID 62913697
N'-(2-chloro-8-methoxyquinazolin-4-yl)-3-hydroxybutanehydrazide
CID 90259926
1-(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)ethanamine
CID 82451910
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342
2-chloro-8-methoxy-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 171562026
1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine
CID 105497188
3-ethyl-8-methoxy-2-methylquinolin-4-amine
CID 62203733
4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline
CID 34176280
(2-chloroquinazolin-4-yl)-(3,4-dimethoxyphenyl)methanamine
CID 87482327

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine?
The IUPAC name of 1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine (CID 105499800) is 1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine is COc1cccc2c(C(C)N)nc(Cl)nc12.
What is the InChIKey of 1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine?
The InChIKey is ZZZZIPICFQJTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-6(13)9-7-4-3-5-8(16-2)10(7)15-11(12)14-9/h3-6H,13H2,1-2H3.
What are the key properties of 1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine?
1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine has a molecular weight of 237.69 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-8-methoxyquinazolin-4-yl)ethanamine is sourced from PubChem (CID 105499800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).