N-(2-chloroethyl)-N-methylquinazolin-2-amine

C11H12ClN3 — CID 114789805

IUPACN-(2-chloroethyl)-N-methylquinazolin-2-amine
SMILESCN(CCCl)c1ncc2ccccc2n1
InChIInChI=1S/C11H12ClN3/c1-15(7-6-12)11-13-8-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7H2,1H3
InChIKeyVRCPPNWAFUVHGY-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.30
Rot. Bonds3

About N-(2-chloroethyl)-N-methylquinazolin-2-amine

N-(2-chloroethyl)-N-methylquinazolin-2-amine (PubChem CID 114789805) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-methylquinazolin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-methylquinazolin-2-amine
PubChem CID114789805
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC NameN-(2-chloroethyl)-N-methylquinazolin-2-amine
SMILESCN(CCCl)c1ncc2ccccc2n1
InChIInChI=1S/C11H12ClN3/c1-15(7-6-12)11-13-8-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7H2,1H3
InChIKeyVRCPPNWAFUVHGY-UHFFFAOYSA-N
XLogP2.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-methylquinazolin-2-amine?
The IUPAC name of N-(2-chloroethyl)-N-methylquinazolin-2-amine (CID 114789805) is N-(2-chloroethyl)-N-methylquinazolin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-methylquinazolin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-N-methylquinazolin-2-amine is CN(CCCl)c1ncc2ccccc2n1.
What is the InChIKey of N-(2-chloroethyl)-N-methylquinazolin-2-amine?
The InChIKey is VRCPPNWAFUVHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-15(7-6-12)11-13-8-9-4-2-3-5-10(9)14-11/h2-5,8H,6-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-methylquinazolin-2-amine?
N-(2-chloroethyl)-N-methylquinazolin-2-amine has a molecular weight of 221.69 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-methylquinazolin-2-amine is sourced from PubChem (CID 114789805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).