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

C14H9Cl2N3 — CID 69491550

IUPACN-(2,4-dichlorophenyl)quinazolin-4-amine
SMILESClc1ccc(Nc2ncnc3ccccc23)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3/c15-9-5-6-13(11(16)7-9)19-14-10-3-1-2-4-12(10)17-8-18-14/h1-8H,(H,17,18,19)
InChIKeyFXATWCSGZUADBJ-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.68
Rot. Bonds2

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

N-(2,4-dichlorophenyl)quinazolin-4-amine (PubChem CID 69491550) has the molecular formula C14H9Cl2N3 and a molecular weight of 290.15 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)quinazolin-4-amine
PubChem CID69491550
Molecular FormulaC14H9Cl2N3
Molecular Weight290.15 g/mol
Exact Mass289.02
IUPAC NameN-(2,4-dichlorophenyl)quinazolin-4-amine
SMILESClc1ccc(Nc2ncnc3ccccc23)c(Cl)c1
InChIInChI=1S/C14H9Cl2N3/c15-9-5-6-13(11(16)7-9)19-14-10-3-1-2-4-12(10)17-8-18-14/h1-8H,(H,17,18,19)
InChIKeyFXATWCSGZUADBJ-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 N-(2,4-dichlorophenyl)quinazolin-4-amine?
The IUPAC name of N-(2,4-dichlorophenyl)quinazolin-4-amine (CID 69491550) is N-(2,4-dichlorophenyl)quinazolin-4-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)quinazolin-4-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)quinazolin-4-amine is Clc1ccc(Nc2ncnc3ccccc23)c(Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)quinazolin-4-amine?
The InChIKey is FXATWCSGZUADBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3/c15-9-5-6-13(11(16)7-9)19-14-10-3-1-2-4-12(10)17-8-18-14/h1-8H,(H,17,18,19).
What are the key properties of N-(2,4-dichlorophenyl)quinazolin-4-amine?
N-(2,4-dichlorophenyl)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 N-(2,4-dichlorophenyl)quinazolin-4-amine is sourced from PubChem (CID 69491550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).