2-chloro-7-methoxyquinazoline

C9H7ClN2O — CID 55251455

IUPAC2-chloro-7-methoxyquinazoline
SMILESCOc1ccc2cnc(Cl)nc2c1
InChIInChI=1S/C9H7ClN2O/c1-13-7-3-2-6-5-11-9(10)12-8(6)4-7/h2-5H,1H3
InChIKeyAYOXOMXNWRXDGY-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.29
Rot. Bonds1

About 2-chloro-7-methoxyquinazoline

2-chloro-7-methoxyquinazoline (PubChem CID 55251455) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 2-chloro-7-methoxyquinazoline.

Molecular Properties

Compound Name2-chloro-7-methoxyquinazoline
PubChem CID55251455
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name2-chloro-7-methoxyquinazoline
SMILESCOc1ccc2cnc(Cl)nc2c1
InChIInChI=1S/C9H7ClN2O/c1-13-7-3-2-6-5-11-9(10)12-8(6)4-7/h2-5H,1H3
InChIKeyAYOXOMXNWRXDGY-UHFFFAOYSA-N
XLogP2.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxyquinazoline?
The IUPAC name of 2-chloro-7-methoxyquinazoline (CID 55251455) is 2-chloro-7-methoxyquinazoline.
What is the SMILES notation for 2-chloro-7-methoxyquinazoline?
The canonical SMILES for 2-chloro-7-methoxyquinazoline is COc1ccc2cnc(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-methoxyquinazoline?
The InChIKey is AYOXOMXNWRXDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-13-7-3-2-6-5-11-9(10)12-8(6)4-7/h2-5H,1H3.
What are the key properties of 2-chloro-7-methoxyquinazoline?
2-chloro-7-methoxyquinazoline has a molecular weight of 194.62 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxyquinazoline is sourced from PubChem (CID 55251455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).