2-chloro-8-methylquinazoline

C9H7ClN2 — CID 53416811

IUPAC2-chloro-8-methylquinazoline
SMILESCc1cccc2cnc(Cl)nc12
InChIInChI=1S/C9H7ClN2/c1-6-3-2-4-7-5-11-9(10)12-8(6)7/h2-5H,1H3
InChIKeyAAZIHSHDCIWZLR-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.59
Rot. Bonds

About 2-chloro-8-methylquinazoline

2-chloro-8-methylquinazoline (PubChem CID 53416811) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 2-chloro-8-methylquinazoline.

Molecular Properties

Compound Name2-chloro-8-methylquinazoline
PubChem CID53416811
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name2-chloro-8-methylquinazoline
SMILESCc1cccc2cnc(Cl)nc12
InChIInChI=1S/C9H7ClN2/c1-6-3-2-4-7-5-11-9(10)12-8(6)7/h2-5H,1H3
InChIKeyAAZIHSHDCIWZLR-UHFFFAOYSA-N
XLogP2.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methylquinazoline?
The IUPAC name of 2-chloro-8-methylquinazoline (CID 53416811) is 2-chloro-8-methylquinazoline.
What is the SMILES notation for 2-chloro-8-methylquinazoline?
The canonical SMILES for 2-chloro-8-methylquinazoline is Cc1cccc2cnc(Cl)nc12.
What is the InChIKey of 2-chloro-8-methylquinazoline?
The InChIKey is AAZIHSHDCIWZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c1-6-3-2-4-7-5-11-9(10)12-8(6)7/h2-5H,1H3.
What are the key properties of 2-chloro-8-methylquinazoline?
2-chloro-8-methylquinazoline has a molecular weight of 178.62 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methylquinazoline is sourced from PubChem (CID 53416811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).