(4-chloro-8-fluoroquinazolin-2-yl)methanamine

C9H7ClFN3 — CID 84781950

IUPAC(4-chloro-8-fluoroquinazolin-2-yl)methanamine
SMILESNCc1nc(Cl)c2cccc(F)c2n1
InChIInChI=1S/C9H7ClFN3/c10-9-5-2-1-3-6(11)8(5)13-7(4-12)14-9/h1-3H,4,12H2
InChIKeyYVLILYPUAYCVRU-UHFFFAOYSA-N
MW211.63 g/mol
LogP1.88
Rot. Bonds1

About (4-chloro-8-fluoroquinazolin-2-yl)methanamine

(4-chloro-8-fluoroquinazolin-2-yl)methanamine (PubChem CID 84781950) has the molecular formula C9H7ClFN3 and a molecular weight of 211.63 g/mol. Its IUPAC name is (4-chloro-8-fluoroquinazolin-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-8-fluoroquinazolin-2-yl)methanamine
PubChem CID84781950
Molecular FormulaC9H7ClFN3
Molecular Weight211.63 g/mol
Exact Mass211.03
IUPAC Name(4-chloro-8-fluoroquinazolin-2-yl)methanamine
SMILESNCc1nc(Cl)c2cccc(F)c2n1
InChIInChI=1S/C9H7ClFN3/c10-9-5-2-1-3-6(11)8(5)13-7(4-12)14-9/h1-3H,4,12H2
InChIKeyYVLILYPUAYCVRU-UHFFFAOYSA-N
XLogP1.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.63
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-8-fluoroquinazolin-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chloro-8-fluoroquinazolin-2-yl)methanamine?
The IUPAC name of (4-chloro-8-fluoroquinazolin-2-yl)methanamine (CID 84781950) is (4-chloro-8-fluoroquinazolin-2-yl)methanamine.
What is the SMILES notation for (4-chloro-8-fluoroquinazolin-2-yl)methanamine?
The canonical SMILES for (4-chloro-8-fluoroquinazolin-2-yl)methanamine is NCc1nc(Cl)c2cccc(F)c2n1.
What is the InChIKey of (4-chloro-8-fluoroquinazolin-2-yl)methanamine?
The InChIKey is YVLILYPUAYCVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3/c10-9-5-2-1-3-6(11)8(5)13-7(4-12)14-9/h1-3H,4,12H2.
What are the key properties of (4-chloro-8-fluoroquinazolin-2-yl)methanamine?
(4-chloro-8-fluoroquinazolin-2-yl)methanamine has a molecular weight of 211.63 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-8-fluoroquinazolin-2-yl)methanamine is sourced from PubChem (CID 84781950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).