2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine

C15H10Cl3N3 — CID 134142696

IUPAC2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine
SMILESClCc1nc(Nc2ccc(Cl)cc2Cl)c2ccccc2n1
InChIInChI=1S/C15H10Cl3N3/c16-8-14-19-12-4-2-1-3-10(12)15(21-14)20-13-6-5-9(17)7-11(13)18/h1-7H,8H2,(H,19,20,21)
InChIKeyIGBHAIDVNJOBPY-UHFFFAOYSA-N
MW338.63 g/mol
LogP5.42
Rot. Bonds3

About 2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine

2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine (PubChem CID 134142696) has the molecular formula C15H10Cl3N3 and a molecular weight of 338.63 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine
PubChem CID134142696
Molecular FormulaC15H10Cl3N3
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine
SMILESClCc1nc(Nc2ccc(Cl)cc2Cl)c2ccccc2n1
InChIInChI=1S/C15H10Cl3N3/c16-8-14-19-12-4-2-1-3-10(12)15(21-14)20-13-6-5-9(17)7-11(13)18/h1-7H,8H2,(H,19,20,21)
InChIKeyIGBHAIDVNJOBPY-UHFFFAOYSA-N
XLogP5.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.63
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-Quinazolinediamine, 5-chloro-
CID 205130
N~2~-(3-chloro-4-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2972826
4-(3-Chloroanilino)quinazoline
CID 128872
N,2-diphenylquinazolin-4-amine
CID 698960
6-Chloroquinazoline-2,4-diamine
CID 256219
4-Chloro-2-(trichloromethyl)quinazoline
CID 618704
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
2-N-(3-chloro-4-methylphenyl)quinazoline-2,4-diamine
CID 2227970
6-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 5328819
N4-(3-chlorophenyl)quinazoline-4,6-diamine
CID 11807783
N-(3-chlorophenyl)-6-fluoroquinazolin-4-amine
CID 24991329
N-[(4-chlorophenyl)methyl]quinazolin-4-amine
CID 5328014

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine?
The IUPAC name of 2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine (CID 134142696) is 2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine?
The canonical SMILES for 2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine is ClCc1nc(Nc2ccc(Cl)cc2Cl)c2ccccc2n1.
What is the InChIKey of 2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine?
The InChIKey is IGBHAIDVNJOBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3/c16-8-14-19-12-4-2-1-3-10(12)15(21-14)20-13-6-5-9(17)7-11(13)18/h1-7H,8H2,(H,19,20,21).
What are the key properties of 2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine?
2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine has a molecular weight of 338.63 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(2,4-dichlorophenyl)quinazolin-4-amine is sourced from PubChem (CID 134142696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).