4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline

C16H13BrClN3 — CID 114590522

IUPAC4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(Cl)c3ccc(Br)cc3n2)cc1
InChIInChI=1S/C16H13BrClN3/c1-21(2)12-6-3-10(4-7-12)16-19-14-9-11(17)5-8-13(14)15(18)20-16/h3-9H,1-2H3
InChIKeyLHCMFYHIEYGBEP-UHFFFAOYSA-N
MW362.66 g/mol
LogP4.78
Rot. Bonds2

About 4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline

4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline (PubChem CID 114590522) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is 4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline
PubChem CID114590522
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC Name4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(Cl)c3ccc(Br)cc3n2)cc1
InChIInChI=1S/C16H13BrClN3/c1-21(2)12-6-3-10(4-7-12)16-19-14-9-11(17)5-8-13(14)15(18)20-16/h3-9H,1-2H3
InChIKeyLHCMFYHIEYGBEP-UHFFFAOYSA-N
XLogP4.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline 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

7-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
CID 114590501
2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline
CID 53249844
7-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590494
7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline
CID 114590509
7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline
CID 114590495
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
7-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)quinazoline
CID 114590488
6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline
CID 79215585
7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
CID 107096293
3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 43329184
7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline
CID 114021122
7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline
CID 114590545

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline (CID 114590522) is 4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2nc(Cl)c3ccc(Br)cc3n2)cc1.
What is the InChIKey of 4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline?
The InChIKey is LHCMFYHIEYGBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c1-21(2)12-6-3-10(4-7-12)16-19-14-9-11(17)5-8-13(14)15(18)20-16/h3-9H,1-2H3.
What are the key properties of 4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline?
4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline has a molecular weight of 362.66 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 114590522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).