2-(4-chloroquinazolin-2-yl)-N-methylethanamine

C11H12ClN3 — CID 105478665

IUPAC2-(4-chloroquinazolin-2-yl)-N-methylethanamine
SMILESCNCCc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C11H12ClN3/c1-13-7-6-10-14-9-5-3-2-4-8(9)11(12)15-10/h2-5,13H,6-7H2,1H3
InChIKeyXOKVEVAWBDEUNH-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.05
Rot. Bonds3

About 2-(4-chloroquinazolin-2-yl)-N-methylethanamine

2-(4-chloroquinazolin-2-yl)-N-methylethanamine (PubChem CID 105478665) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-(4-chloroquinazolin-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloroquinazolin-2-yl)-N-methylethanamine
PubChem CID105478665
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-(4-chloroquinazolin-2-yl)-N-methylethanamine
SMILESCNCCc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C11H12ClN3/c1-13-7-6-10-14-9-5-3-2-4-8(9)11(12)15-10/h2-5,13H,6-7H2,1H3
InChIKeyXOKVEVAWBDEUNH-UHFFFAOYSA-N
XLogP2.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroquinazolin-2-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chloroquinazolin-2-yl)-N-methylethanamine (CID 105478665) is 2-(4-chloroquinazolin-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloroquinazolin-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloroquinazolin-2-yl)-N-methylethanamine is CNCCc1nc(Cl)c2ccccc2n1.
What is the InChIKey of 2-(4-chloroquinazolin-2-yl)-N-methylethanamine?
The InChIKey is XOKVEVAWBDEUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-13-7-6-10-14-9-5-3-2-4-8(9)11(12)15-10/h2-5,13H,6-7H2,1H3.
What are the key properties of 2-(4-chloroquinazolin-2-yl)-N-methylethanamine?
2-(4-chloroquinazolin-2-yl)-N-methylethanamine has a molecular weight of 221.69 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroquinazolin-2-yl)-N-methylethanamine is sourced from PubChem (CID 105478665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).