6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine

C20H13Cl2N3 — CID 1394833

IUPAC6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine
SMILESClc1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C20H13Cl2N3/c21-14-6-9-16(10-7-14)23-20-24-18-11-8-15(22)12-17(18)19(25-20)13-4-2-1-3-5-13/h1-12H,(H,23,24,25)
InChIKeyZZYJOYVBDSRXKV-UHFFFAOYSA-N
MW366.25 g/mol
LogP6.35
Rot. Bonds3

About 6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine

6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine (PubChem CID 1394833) has the molecular formula C20H13Cl2N3 and a molecular weight of 366.25 g/mol. Its IUPAC name is 6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine
PubChem CID1394833
Molecular FormulaC20H13Cl2N3
Molecular Weight366.25 g/mol
Exact Mass365.05
IUPAC Name6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine
SMILESClc1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C20H13Cl2N3/c21-14-6-9-16(10-7-14)23-20-24-18-11-8-15(22)12-17(18)19(25-20)13-4-2-1-3-5-13/h1-12H,(H,23,24,25)
InChIKeyZZYJOYVBDSRXKV-UHFFFAOYSA-N
XLogP6.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.25
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine?
The IUPAC name of 6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine (CID 1394833) is 6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine?
The canonical SMILES for 6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine is Clc1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine?
The InChIKey is ZZYJOYVBDSRXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3/c21-14-6-9-16(10-7-14)23-20-24-18-11-8-15(22)12-17(18)19(25-20)13-4-2-1-3-5-13/h1-12H,(H,23,24,25).
What are the key properties of 6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine?
6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine has a molecular weight of 366.25 g/mol, XLogP of 6.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chlorophenyl)-4-phenylquinazolin-2-amine is sourced from PubChem (CID 1394833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).