N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine

C14H8BrCl2N3 — CID 63548575

IUPACN-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine
SMILESClc1nc(Nc2cc(Br)ccc2Cl)c2ccccc2n1
InChIInChI=1S/C14H8BrCl2N3/c15-8-5-6-10(16)12(7-8)18-13-9-3-1-2-4-11(9)19-14(17)20-13/h1-7H,(H,18,19,20)
InChIKeyNHCRAPZUFWMWRT-UHFFFAOYSA-N
MW369.05 g/mol
LogP5.44
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine

N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine (PubChem CID 63548575) has the molecular formula C14H8BrCl2N3 and a molecular weight of 369.05 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine
PubChem CID63548575
Molecular FormulaC14H8BrCl2N3
Molecular Weight369.05 g/mol
Exact Mass366.93
IUPAC NameN-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine
SMILESClc1nc(Nc2cc(Br)ccc2Cl)c2ccccc2n1
InChIInChI=1S/C14H8BrCl2N3/c15-8-5-6-10(16)12(7-8)18-13-9-3-1-2-4-11(9)19-14(17)20-13/h1-7H,(H,18,19,20)
InChIKeyNHCRAPZUFWMWRT-UHFFFAOYSA-N
XLogP5.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.05
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N4-(3-Bromophenyl)quinazoline-4,6-diamine
CID 5328042
7-Amino-4-[(3-bromophenyl)amino]quinazoline
CID 5328045
4-(3-Chloroanilino)quinazoline
CID 128872
1,4-Pentanediamine, N(sup 4)-(2-(2-(4-bromophenyl)ethenyl)-7-chloro-4-quinazolinyl)-N(sup 1),N(sup 1)-diethyl-
CID 5285750
6-bromo-N2-phenylquinazoline-2,4-diamine
CID 145998261
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
N-(3-bromophenyl)quinazolin-4-amine
CID 735125
4-N-(3-bromophenyl)quinazoline-4,5-diamine
CID 5328039
N-(3-bromophenyl)-6-chloroquinazolin-4-amine
CID 11056756
(4-Chloro-phenyl)-(2-phenyl-quinazolin-4-yl)-amine
CID 10359377
N~2~-(4-chlorophenyl)-2,4-quinazolinediamine hydrochloride
CID 2953146
4-N-(3-bromophenyl)-7-chloroquinazoline-4,6-diamine
CID 5328213

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine (CID 63548575) is N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine is Clc1nc(Nc2cc(Br)ccc2Cl)c2ccccc2n1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine?
The InChIKey is NHCRAPZUFWMWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2N3/c15-8-5-6-10(16)12(7-8)18-13-9-3-1-2-4-11(9)19-14(17)20-13/h1-7H,(H,18,19,20).
What are the key properties of N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine?
N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine has a molecular weight of 369.05 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine is sourced from PubChem (CID 63548575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).