6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine

C15H10ClF2N3 — CID 64981014

IUPAC6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2c(F)cccc2F)nc2ccc(Cl)cc12
InChIInChI=1S/C15H10ClF2N3/c1-19-14-9-7-8(16)5-6-12(9)20-15(21-14)13-10(17)3-2-4-11(13)18/h2-7H,1H3,(H,19,20,21)
InChIKeyFGUYSIVYSFLWKE-UHFFFAOYSA-N
MW305.72 g/mol
LogP4.27
Rot. Bonds2

About 6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine

6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine (PubChem CID 64981014) has the molecular formula C15H10ClF2N3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
PubChem CID64981014
Molecular FormulaC15H10ClF2N3
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2c(F)cccc2F)nc2ccc(Cl)cc12
InChIInChI=1S/C15H10ClF2N3/c1-19-14-9-7-8(16)5-6-12(9)20-15(21-14)13-10(17)3-2-4-11(13)18/h2-7H,1H3,(H,19,20,21)
InChIKeyFGUYSIVYSFLWKE-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine
CID 64981216
7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine
CID 64983885
6-chloro-2-(3-chlorothiophen-2-yl)-N-methylquinazolin-4-amine
CID 80642166
2-(5-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 64981113
2-(4-bromo-2-chlorophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 64981367
2-(5-chloro-2-methylphenyl)-N,6-dimethylquinazolin-4-amine
CID 82875208
6-chloro-N-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981065
2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79516498
2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine
CID 64981421
6-fluoro-2-(4-fluorophenyl)-N-methylquinazolin-4-amine
CID 64980918
7-chloro-2-(5-fluoro-2-methylphenyl)-N-methylquinazolin-4-amine
CID 64981111
6-bromo-2-(3-chloro-2-methylphenyl)-N-methylquinazolin-4-amine
CID 107100397

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine (CID 64981014) is 6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine is CNc1nc(-c2c(F)cccc2F)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine?
The InChIKey is FGUYSIVYSFLWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3/c1-19-14-9-7-8(16)5-6-12(9)20-15(21-14)13-10(17)3-2-4-11(13)18/h2-7H,1H3,(H,19,20,21).
What are the key properties of 6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine?
6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine has a molecular weight of 305.72 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 64981014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).