6-chloro-8-methoxyquinazolin-2-amine

C9H8ClN3O — CID 175766269

IUPAC6-chloro-8-methoxyquinazolin-2-amine
SMILESCOc1cc(Cl)cc2cnc(N)nc12
InChIInChI=1S/C9H8ClN3O/c1-14-7-3-6(10)2-5-4-12-9(11)13-8(5)7/h2-4H,1H3,(H2,11,12,13)
InChIKeyPSEHJQXWRHXLSL-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.87
Rot. Bonds1

About 6-chloro-8-methoxyquinazolin-2-amine

6-chloro-8-methoxyquinazolin-2-amine (PubChem CID 175766269) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 6-chloro-8-methoxyquinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-8-methoxyquinazolin-2-amine
PubChem CID175766269
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name6-chloro-8-methoxyquinazolin-2-amine
SMILESCOc1cc(Cl)cc2cnc(N)nc12
InChIInChI=1S/C9H8ClN3O/c1-14-7-3-6(10)2-5-4-12-9(11)13-8(5)7/h2-4H,1H3,(H2,11,12,13)
InChIKeyPSEHJQXWRHXLSL-UHFFFAOYSA-N
XLogP1.87
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methoxyquinazolin-2-amine?
The IUPAC name of 6-chloro-8-methoxyquinazolin-2-amine (CID 175766269) is 6-chloro-8-methoxyquinazolin-2-amine.
What is the SMILES notation for 6-chloro-8-methoxyquinazolin-2-amine?
The canonical SMILES for 6-chloro-8-methoxyquinazolin-2-amine is COc1cc(Cl)cc2cnc(N)nc12.
What is the InChIKey of 6-chloro-8-methoxyquinazolin-2-amine?
The InChIKey is PSEHJQXWRHXLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-14-7-3-6(10)2-5-4-12-9(11)13-8(5)7/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 6-chloro-8-methoxyquinazolin-2-amine?
6-chloro-8-methoxyquinazolin-2-amine has a molecular weight of 209.64 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methoxyquinazolin-2-amine is sourced from PubChem (CID 175766269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).