3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline

C16H13ClFN3 — CID 114590420

IUPAC3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2nc(Cl)c3cccc(F)c3n2)c1
InChIInChI=1S/C16H13ClFN3/c1-21(2)11-6-3-5-10(9-11)16-19-14-12(15(17)20-16)7-4-8-13(14)18/h3-9H,1-2H3
InChIKeyAVZFDQZXQROTEF-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.16
Rot. Bonds2

About 3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline

3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline (PubChem CID 114590420) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline
PubChem CID114590420
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(-c2nc(Cl)c3cccc(F)c3n2)c1
InChIInChI=1S/C16H13ClFN3/c1-21(2)11-6-3-5-10(9-11)16-19-14-12(15(17)20-16)7-4-8-13(14)18/h3-9H,1-2H3
InChIKeyAVZFDQZXQROTEF-UHFFFAOYSA-N
XLogP4.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-8-fluoro-2-phenylquinazoline
CID 114590404
3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 43329184
4-chloro-8-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114590465
4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine
CID 114591379
4-chloro-2-(2,4-difluorophenyl)-8-fluoroquinazoline
CID 114590403
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
CID 114591452
4-chloro-8-fluoro-2-(2-fluoro-4-methoxyphenyl)quinazoline
CID 102882508
4-chloro-2-(2,6-difluorophenyl)-8-methylquinazoline
CID 63085684
2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline
CID 114590475
3-(2-fluorophenyl)-N,N-dimethylaniline
CID 173224461
2-bromo-4-chloro-8-fluoroquinazoline
CID 84806834
4-chloro-2-(2,6-difluorophenyl)-6,8-difluoroquinazoline
CID 114590924

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline (CID 114590420) is 3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline is CN(C)c1cccc(-c2nc(Cl)c3cccc(F)c3n2)c1.
What is the InChIKey of 3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline?
The InChIKey is AVZFDQZXQROTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-21(2)11-6-3-5-10(9-11)16-19-14-12(15(17)20-16)7-4-8-13(14)18/h3-9H,1-2H3.
What are the key properties of 3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline?
3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline has a molecular weight of 301.75 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 114590420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).