1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine

C12H14ClN3 — CID 105497188

IUPAC1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine
SMILESCNC(C)c1nc(Cl)nc2c(C)cccc12
InChIInChI=1S/C12H14ClN3/c1-7-5-4-6-9-10(7)15-12(13)16-11(9)8(2)14-3/h4-6,8,14H,1-3H3
InChIKeyXOBAVFRQUQGNOK-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.87
Rot. Bonds2

About 1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine

1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine (PubChem CID 105497188) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine
PubChem CID105497188
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine
SMILESCNC(C)c1nc(Cl)nc2c(C)cccc12
InChIInChI=1S/C12H14ClN3/c1-7-5-4-6-9-10(7)15-12(13)16-11(9)8(2)14-3/h4-6,8,14H,1-3H3
InChIKeyXOBAVFRQUQGNOK-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine?
The IUPAC name of 1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine (CID 105497188) is 1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine?
The canonical SMILES for 1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine is CNC(C)c1nc(Cl)nc2c(C)cccc12.
What is the InChIKey of 1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine?
The InChIKey is XOBAVFRQUQGNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-7-5-4-6-9-10(7)15-12(13)16-11(9)8(2)14-3/h4-6,8,14H,1-3H3.
What are the key properties of 1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine?
1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-8-methylquinazolin-4-yl)-N-methylethanamine is sourced from PubChem (CID 105497188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).