3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline

C16H14ClN3 — CID 43329184

IUPAC3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2nc(Cl)c3ccccc3n2)c1
InChIInChI=1S/C16H14ClN3/c1-20(2)12-7-5-6-11(10-12)16-18-14-9-4-3-8-13(14)15(17)19-16/h3-10H,1-2H3
InChIKeyXTAAREHVJHFYJB-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.02
Rot. Bonds2

About 3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline

3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline (PubChem CID 43329184) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline
PubChem CID43329184
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2nc(Cl)c3ccccc3n2)c1
InChIInChI=1S/C16H14ClN3/c1-20(2)12-7-5-6-11(10-12)16-18-14-9-4-3-8-13(14)15(17)19-16/h3-10H,1-2H3
InChIKeyXTAAREHVJHFYJB-UHFFFAOYSA-N
XLogP4.02
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590420
4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine
CID 114591379
4-chloro-2-(3-pyridin-2-ylphenyl)quinazoline
CID 166908308
4-chloro-2-(3-chloro-4-methylphenyl)quinazoline
CID 55197160
N,N-dimethyl-3-(4-phenylacridin-9-yl)aniline
CID 56926132
N,N-dimethyl-2-phenylquinazolin-4-amine;ethane
CID 90692707
N-methyl-N,2-diphenylquinazolin-4-amine
CID 10358104
4-chloro-2-thiophen-3-ylquinazoline
CID 9291133
4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590522
4,7-dichloro-2-(4-phenylphenyl)quinazoline
CID 87604357
4-chloro-2-phenanthren-9-ylquinazoline
CID 139327721
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline (CID 43329184) is 3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline is CN(C)c1cccc(-c2nc(Cl)c3ccccc3n2)c1.
What is the InChIKey of 3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline?
The InChIKey is XTAAREHVJHFYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-20(2)12-7-5-6-11(10-12)16-18-14-9-4-3-8-13(14)15(17)19-16/h3-10H,1-2H3.
What are the key properties of 3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline?
3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline has a molecular weight of 283.76 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 43329184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).