2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine

C16H14ClN3 — CID 57223906

IUPAC2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine
SMILESCN(c1ccccc1)c1nc(CCl)nc2ccccc12
InChIInChI=1S/C16H14ClN3/c1-20(12-7-3-2-4-8-12)16-13-9-5-6-10-14(13)18-15(11-17)19-16/h2-10H,11H2,1H3
InChIKeyJFHGORPUPJYXDJ-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.14
Rot. Bonds3

About 2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine

2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine (PubChem CID 57223906) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine
PubChem CID57223906
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine
SMILESCN(c1ccccc1)c1nc(CCl)nc2ccccc12
InChIInChI=1S/C16H14ClN3/c1-20(12-7-3-2-4-8-12)16-13-9-5-6-10-14(13)18-15(11-17)19-16/h2-10H,11H2,1H3
InChIKeyJFHGORPUPJYXDJ-UHFFFAOYSA-N
XLogP4.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.14
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 2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine?
The IUPAC name of 2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine (CID 57223906) is 2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine?
The canonical SMILES for 2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine is CN(c1ccccc1)c1nc(CCl)nc2ccccc12.
What is the InChIKey of 2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine?
The InChIKey is JFHGORPUPJYXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-20(12-7-3-2-4-8-12)16-13-9-5-6-10-14(13)18-15(11-17)19-16/h2-10H,11H2,1H3.
What are the key properties of 2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine?
2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-methyl-N-phenylquinazolin-4-amine is sourced from PubChem (CID 57223906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).