7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine

C15H10ClF2N3 — CID 64983885

IUPAC7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2cccc(F)c2F)nc2cc(Cl)ccc12
InChIInChI=1S/C15H10ClF2N3/c1-19-14-9-6-5-8(16)7-12(9)20-15(21-14)10-3-2-4-11(17)13(10)18/h2-7H,1H3,(H,19,20,21)
InChIKeyNRSJBGOXZFKUSS-UHFFFAOYSA-N
MW305.72 g/mol
LogP4.27
Rot. Bonds2

About 7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine

7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine (PubChem CID 64983885) has the molecular formula C15H10ClF2N3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine
PubChem CID64983885
Molecular FormulaC15H10ClF2N3
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine
SMILESCNc1nc(-c2cccc(F)c2F)nc2cc(Cl)ccc12
InChIInChI=1S/C15H10ClF2N3/c1-19-14-9-6-5-8(16)7-12(9)20-15(21-14)10-3-2-4-11(17)13(10)18/h2-7H,1H3,(H,19,20,21)
InChIKeyNRSJBGOXZFKUSS-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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine (CID 64983885) is 7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine is CNc1nc(-c2cccc(F)c2F)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine?
The InChIKey is NRSJBGOXZFKUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3/c1-19-14-9-6-5-8(16)7-12(9)20-15(21-14)10-3-2-4-11(17)13(10)18/h2-7H,1H3,(H,19,20,21).
What are the key properties of 7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine?
7-chloro-2-(2,3-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 7-chloro-2-(2,3-difluorophenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 64983885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).