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

C14H8Cl3N3 — CID 22692895

IUPAC2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
SMILESClc1ccc(Nc2nc(Cl)nc3ccccc23)c(Cl)c1
InChIInChI=1S/C14H8Cl3N3/c15-8-5-6-12(10(16)7-8)18-13-9-3-1-2-4-11(9)19-14(17)20-13/h1-7H,(H,18,19,20)
InChIKeyTUJRLBZNDAVVKR-UHFFFAOYSA-N
MW324.60 g/mol
LogP5.33
Rot. Bonds2

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

2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine (PubChem CID 22692895) has the molecular formula C14H8Cl3N3 and a molecular weight of 324.60 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
PubChem CID22692895
Molecular FormulaC14H8Cl3N3
Molecular Weight324.60 g/mol
Exact Mass322.98
IUPAC Name2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
SMILESClc1ccc(Nc2nc(Cl)nc3ccccc23)c(Cl)c1
InChIInChI=1S/C14H8Cl3N3/c15-8-5-6-12(10(16)7-8)18-13-9-3-1-2-4-11(9)19-14(17)20-13/h1-7H,(H,18,19,20)
InChIKeyTUJRLBZNDAVVKR-UHFFFAOYSA-N
XLogP5.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine (CID 22692895) is 2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine is Clc1ccc(Nc2nc(Cl)nc3ccccc23)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine?
The InChIKey is TUJRLBZNDAVVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3/c15-8-5-6-12(10(16)7-8)18-13-9-3-1-2-4-11(9)19-14(17)20-13/h1-7H,(H,18,19,20).
What are the key properties of 2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine?
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine has a molecular weight of 324.60 g/mol, XLogP of 5.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine is sourced from PubChem (CID 22692895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).