6-chloro-N-(3-chlorophenyl)quinazolin-4-amine

C14H9Cl2N3 — CID 5328819

IUPAC6-chloro-N-(3-chlorophenyl)quinazolin-4-amine
SMILESClc1cccc(Nc2ncnc3ccc(Cl)cc23)c1
InChIInChI=1S/C14H9Cl2N3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
InChIKeyQKCFZLIUAVWYRM-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.68
Rot. Bonds2

About 6-chloro-N-(3-chlorophenyl)quinazolin-4-amine

6-chloro-N-(3-chlorophenyl)quinazolin-4-amine (PubChem CID 5328819) has the molecular formula C14H9Cl2N3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 6-chloro-N-(3-chlorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-chlorophenyl)quinazolin-4-amine
PubChem CID5328819
Molecular FormulaC14H9Cl2N3
Molecular Weight290.15 g/mol
Exact Mass289.02
IUPAC Name6-chloro-N-(3-chlorophenyl)quinazolin-4-amine
SMILESClc1cccc(Nc2ncnc3ccc(Cl)cc23)c1
InChIInChI=1S/C14H9Cl2N3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
InChIKeyQKCFZLIUAVWYRM-UHFFFAOYSA-N
XLogP4.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chlorophenyl)quinazolin-4-amine?
The IUPAC name of 6-chloro-N-(3-chlorophenyl)quinazolin-4-amine (CID 5328819) is 6-chloro-N-(3-chlorophenyl)quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-chlorophenyl)quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-(3-chlorophenyl)quinazolin-4-amine is Clc1cccc(Nc2ncnc3ccc(Cl)cc23)c1.
What is the InChIKey of 6-chloro-N-(3-chlorophenyl)quinazolin-4-amine?
The InChIKey is QKCFZLIUAVWYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19).
What are the key properties of 6-chloro-N-(3-chlorophenyl)quinazolin-4-amine?
6-chloro-N-(3-chlorophenyl)quinazolin-4-amine has a molecular weight of 290.15 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chlorophenyl)quinazolin-4-amine is sourced from PubChem (CID 5328819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).