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

C20H14ClN3 — CID 10426854

IUPACN-(2-chlorophenyl)-2-phenylquinazolin-4-amine
SMILESClc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H14ClN3/c21-16-11-5-7-13-18(16)23-20-15-10-4-6-12-17(15)22-19(24-20)14-8-2-1-3-9-14/h1-13H,(H,22,23,24)
InChIKeyNCMYBYUBAVNQLD-UHFFFAOYSA-N
MW331.81 g/mol
LogP5.69
Rot. Bonds3

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

N-(2-chlorophenyl)-2-phenylquinazolin-4-amine (PubChem CID 10426854) has the molecular formula C20H14ClN3 and a molecular weight of 331.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-phenylquinazolin-4-amine
PubChem CID10426854
Molecular FormulaC20H14ClN3
Molecular Weight331.81 g/mol
Exact Mass331.09
IUPAC NameN-(2-chlorophenyl)-2-phenylquinazolin-4-amine
SMILESClc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H14ClN3/c21-16-11-5-7-13-18(16)23-20-15-10-4-6-12-17(15)22-19(24-20)14-8-2-1-3-9-14/h1-13H,(H,22,23,24)
InChIKeyNCMYBYUBAVNQLD-UHFFFAOYSA-N
XLogP5.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.81
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-phenylquinazolin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-2-phenylquinazolin-4-amine (CID 10426854) is N-(2-chlorophenyl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-2-phenylquinazolin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-2-phenylquinazolin-4-amine is Clc1ccccc1Nc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(2-chlorophenyl)-2-phenylquinazolin-4-amine?
The InChIKey is NCMYBYUBAVNQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3/c21-16-11-5-7-13-18(16)23-20-15-10-4-6-12-17(15)22-19(24-20)14-8-2-1-3-9-14/h1-13H,(H,22,23,24).
What are the key properties of N-(2-chlorophenyl)-2-phenylquinazolin-4-amine?
N-(2-chlorophenyl)-2-phenylquinazolin-4-amine has a molecular weight of 331.81 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 10426854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).