6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine

C16H13ClFN3 — CID 64981216

IUPAC6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccc(F)c(C)c2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H13ClFN3/c1-9-7-10(3-5-13(9)18)15-20-14-6-4-11(17)8-12(14)16(19-2)21-15/h3-8H,1-2H3,(H,19,20,21)
InChIKeyDTUMCNKPIGDNTH-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.44
Rot. Bonds2

About 6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine

6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine (PubChem CID 64981216) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine
PubChem CID64981216
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccc(F)c(C)c2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H13ClFN3/c1-9-7-10(3-5-13(9)18)15-20-14-6-4-11(17)8-12(14)16(19-2)21-15/h3-8H,1-2H3,(H,19,20,21)
InChIKeyDTUMCNKPIGDNTH-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
CID 64981014
6-bromo-2-(3-fluoro-4-methylphenyl)-N-methylquinazolin-4-amine
CID 64981378
2-(3-chloro-4-methylphenyl)-N,6-dimethylquinazolin-4-amine
CID 64981583
6-fluoro-2-(4-fluorophenyl)-N-methylquinazolin-4-amine
CID 64980918
2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine
CID 82875208
6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine
CID 80642166
N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine
CID 63500841
2-(4-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 64981367
2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 64981113
6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981065
4,6-dichloro-5-fluoro-2-(4-fluoro-3-methylphenyl)pyrimidine
CID 80550185
4,6-dichloro-2-(4-fluoro-3-methylphenyl)-5-methylpyrimidine
CID 63612311

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine (CID 64981216) is 6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine is CNc1nc(-c2ccc(F)c(C)c2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine?
The InChIKey is DTUMCNKPIGDNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-9-7-10(3-5-13(9)18)15-20-14-6-4-11(17)8-12(14)16(19-2)21-15/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of 6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine?
6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine has a molecular weight of 301.75 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 64981216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).