N-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine

C20H13Cl2N3 — CID 3555557

IUPACN-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine
SMILESClc1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C20H13Cl2N3/c21-14-10-11-18(16(22)12-14)24-20-23-17-9-5-4-8-15(17)19(25-20)13-6-2-1-3-7-13/h1-12H,(H,23,24,25)
InChIKeyNMDJQLANCDFIFN-UHFFFAOYSA-N
MW366.25 g/mol
LogP6.35
Rot. Bonds3

About N-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine

N-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine (PubChem CID 3555557) has the molecular formula C20H13Cl2N3 and a molecular weight of 366.25 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine
PubChem CID3555557
Molecular FormulaC20H13Cl2N3
Molecular Weight366.25 g/mol
Exact Mass365.05
IUPAC NameN-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine
SMILESClc1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)c(Cl)c1
InChIInChI=1S/C20H13Cl2N3/c21-14-10-11-18(16(22)12-14)24-20-23-17-9-5-4-8-15(17)19(25-20)13-6-2-1-3-7-13/h1-12H,(H,23,24,25)
InChIKeyNMDJQLANCDFIFN-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 N-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine (CID 3555557) is N-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine is Clc1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)c(Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine?
The InChIKey is NMDJQLANCDFIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3/c21-14-10-11-18(16(22)12-14)24-20-23-17-9-5-4-8-15(17)19(25-20)13-6-2-1-3-7-13/h1-12H,(H,23,24,25).
What are the key properties of N-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine?
N-(2,4-dichlorophenyl)-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 N-(2,4-dichlorophenyl)-4-phenylquinazolin-2-amine is sourced from PubChem (CID 3555557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).