4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine

C16H13ClFN3 — CID 114591379

IUPAC4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine
SMILESCN(C)c1ccc2nc(-c3cccc(F)c3)nc(Cl)c2c1
InChIInChI=1S/C16H13ClFN3/c1-21(2)12-6-7-14-13(9-12)15(17)20-16(19-14)10-4-3-5-11(18)8-10/h3-9H,1-2H3
InChIKeyALNSWAMCUZQARF-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.16
Rot. Bonds2

About 4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine

4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine (PubChem CID 114591379) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine.

Molecular Properties

Compound Name4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine
PubChem CID114591379
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine
SMILESCN(C)c1ccc2nc(-c3cccc(F)c3)nc(Cl)c2c1
InChIInChI=1S/C16H13ClFN3/c1-21(2)12-6-7-14-13(9-12)15(17)20-16(19-14)10-4-3-5-11(18)8-10/h3-9H,1-2H3
InChIKeyALNSWAMCUZQARF-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

3-(4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 43329184
4-chloro-6-fluoro-2-(3-methylphenyl)quinazoline
CID 63084323
3-(4-chloro-8-fluoroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590420
4-chloro-6-fluoro-2-(3-fluoro-4-methylphenyl)quinazoline
CID 63084490
4,6-dichloro-2-(3,5-difluorophenyl)quinazoline
CID 63085337
4-chloro-N,N-dimethyl-2-(5-methylthiophen-2-yl)quinazolin-6-amine
CID 114591367
4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
CID 114590868
4-chloro-2-(3-chloro-4-methylphenyl)-6-fluoroquinazoline
CID 63498026
6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine
CID 64983813
4-chloro-6-fluoro-2-(4-propan-2-ylphenyl)quinazoline
CID 63497668
4-(3-fluorophenyl)-N,N-dimethylaniline
CID 54450896
4-chloro-2-(3-chlorophenyl)-6,7-difluoroquinazoline
CID 114590146

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine?
The IUPAC name of 4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine (CID 114591379) is 4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine.
What is the SMILES notation for 4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine?
The canonical SMILES for 4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine is CN(C)c1ccc2nc(-c3cccc(F)c3)nc(Cl)c2c1.
What is the InChIKey of 4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine?
The InChIKey is ALNSWAMCUZQARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-21(2)12-6-7-14-13(9-12)15(17)20-16(19-14)10-4-3-5-11(18)8-10/h3-9H,1-2H3.
What are the key properties of 4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine?
4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine 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 4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine is sourced from PubChem (CID 114591379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).