N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine

C16H13BrClN3 — CID 142747337

IUPACN-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine
SMILESClc1nc(NCCc2ccccc2Br)c2ccccc2n1
InChIInChI=1S/C16H13BrClN3/c17-13-7-3-1-5-11(13)9-10-19-15-12-6-2-4-8-14(12)20-16(18)21-15/h1-8H,9-10H2,(H,19,20,21)
InChIKeyHWACOOZGYDRDPF-UHFFFAOYSA-N
MW362.66 g/mol
LogP4.70
Rot. Bonds4

About N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine

N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine (PubChem CID 142747337) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine
PubChem CID142747337
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC NameN-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine
SMILESClc1nc(NCCc2ccccc2Br)c2ccccc2n1
InChIInChI=1S/C16H13BrClN3/c17-13-7-3-1-5-11(13)9-10-19-15-12-6-2-4-8-14(12)20-16(18)21-15/h1-8H,9-10H2,(H,19,20,21)
InChIKeyHWACOOZGYDRDPF-UHFFFAOYSA-N
XLogP4.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]quinazolin-4-amine
CID 114156958
2-chloro-N-(2-phenylsulfanylethyl)quinazolin-4-amine
CID 12827448
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
5-[(2-chloroquinazolin-4-yl)amino]pentan-2-ol
CID 114148530
2-(2-aminoethyl)-N-[2-(2-chlorophenyl)ethyl]quinazolin-4-amine
CID 50967665
2-chloro-N-(2-cyclopentyloxyethyl)quinazolin-4-amine
CID 63833541
2-chloro-N-[(2-methylsulfonylphenyl)methyl]quinazolin-4-amine
CID 146254293
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
N-(2-bromo-6-fluorophenyl)-2-chloroquinazolin-4-amine
CID 107602343

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine (CID 142747337) is N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine is Clc1nc(NCCc2ccccc2Br)c2ccccc2n1.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine?
The InChIKey is HWACOOZGYDRDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c17-13-7-3-1-5-11(13)9-10-19-15-12-6-2-4-8-14(12)20-16(18)21-15/h1-8H,9-10H2,(H,19,20,21).
What are the key properties of N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine?
N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine has a molecular weight of 362.66 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine is sourced from PubChem (CID 142747337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).