8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride

C14H10Cl3N3 — CID 12806772

IUPAC8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride
SMILESCl.Clc1cccc(Nc2ncnc3c(Cl)cccc23)c1
InChIInChI=1S/C14H9Cl2N3.ClH/c15-9-3-1-4-10(7-9)19-14-11-5-2-6-12(16)13(11)17-8-18-14;/h1-8H,(H,17,18,19);1H
InChIKeyMIDPAEUIXBVECE-UHFFFAOYSA-N
MW326.61 g/mol
LogP5.10
Rot. Bonds2

About 8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride

8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride (PubChem CID 12806772) has the molecular formula C14H10Cl3N3 and a molecular weight of 326.61 g/mol. Its IUPAC name is 8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride
PubChem CID12806772
Molecular FormulaC14H10Cl3N3
Molecular Weight326.61 g/mol
Exact Mass324.99
IUPAC Name8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride
SMILESCl.Clc1cccc(Nc2ncnc3c(Cl)cccc23)c1
InChIInChI=1S/C14H9Cl2N3.ClH/c15-9-3-1-4-10(7-9)19-14-11-5-2-6-12(16)13(11)17-8-18-14;/h1-8H,(H,17,18,19);1H
InChIKeyMIDPAEUIXBVECE-UHFFFAOYSA-N
XLogP5.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of 8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride (CID 12806772) is 8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for 8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride is Cl.Clc1cccc(Nc2ncnc3c(Cl)cccc23)c1.
What is the InChIKey of 8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride?
The InChIKey is MIDPAEUIXBVECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3.ClH/c15-9-3-1-4-10(7-9)19-14-11-5-2-6-12(16)13(11)17-8-18-14;/h1-8H,(H,17,18,19);1H.
What are the key properties of 8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride?
8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride has a molecular weight of 326.61 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 12806772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).