5-chloro-4-methoxyquinazolin-2-amine

C9H8ClN3O — CID 84780949

IUPAC5-chloro-4-methoxyquinazolin-2-amine
SMILESCOc1nc(N)nc2cccc(Cl)c12
InChIInChI=1S/C9H8ClN3O/c1-14-8-7-5(10)3-2-4-6(7)12-9(11)13-8/h2-4H,1H3,(H2,11,12,13)
InChIKeyOPJVOLUBGQYEFR-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.87
Rot. Bonds1

About 5-chloro-4-methoxyquinazolin-2-amine

5-chloro-4-methoxyquinazolin-2-amine (PubChem CID 84780949) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-chloro-4-methoxyquinazolin-2-amine.

Molecular Properties

Compound Name5-chloro-4-methoxyquinazolin-2-amine
PubChem CID84780949
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name5-chloro-4-methoxyquinazolin-2-amine
SMILESCOc1nc(N)nc2cccc(Cl)c12
InChIInChI=1S/C9H8ClN3O/c1-14-8-7-5(10)3-2-4-6(7)12-9(11)13-8/h2-4H,1H3,(H2,11,12,13)
InChIKeyOPJVOLUBGQYEFR-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 5-chloro-4-methoxyquinazolin-2-amine?
The IUPAC name of 5-chloro-4-methoxyquinazolin-2-amine (CID 84780949) is 5-chloro-4-methoxyquinazolin-2-amine.
What is the SMILES notation for 5-chloro-4-methoxyquinazolin-2-amine?
The canonical SMILES for 5-chloro-4-methoxyquinazolin-2-amine is COc1nc(N)nc2cccc(Cl)c12.
What is the InChIKey of 5-chloro-4-methoxyquinazolin-2-amine?
The InChIKey is OPJVOLUBGQYEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-14-8-7-5(10)3-2-4-6(7)12-9(11)13-8/h2-4H,1H3,(H2,11,12,13).
What are the key properties of 5-chloro-4-methoxyquinazolin-2-amine?
5-chloro-4-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 5-chloro-4-methoxyquinazolin-2-amine is sourced from PubChem (CID 84780949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).