2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine

C15H11ClFN3 — CID 64981421

IUPAC2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccccc2Cl)nc2ccc(F)cc12
InChIInChI=1S/C15H11ClFN3/c1-18-14-11-8-9(17)6-7-13(11)19-15(20-14)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,18,19,20)
InChIKeyFXFLTOVREVKCRK-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.13
Rot. Bonds2

About 2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine

2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine (PubChem CID 64981421) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine
PubChem CID64981421
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2ccccc2Cl)nc2ccc(F)cc12
InChIInChI=1S/C15H11ClFN3/c1-18-14-11-8-9(17)6-7-13(11)19-15(20-14)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,18,19,20)
InChIKeyFXFLTOVREVKCRK-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine (CID 64981421) is 2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine is CNc1nc(-c2ccccc2Cl)nc2ccc(F)cc12.
What is the InChIKey of 2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine?
The InChIKey is FXFLTOVREVKCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c1-18-14-11-8-9(17)6-7-13(11)19-15(20-14)10-4-2-3-5-12(10)16/h2-8H,1H3,(H,18,19,20).
What are the key properties of 2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine?
2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine has a molecular weight of 287.73 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-fluoro-N-methylquinazolin-4-amine is sourced from PubChem (CID 64981421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).