4-chloro-2-methylquinazoline

C9H7ClN2 — CID 2785421

IUPAC4-chloro-2-methylquinazoline
SMILESCc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C9H7ClN2/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h2-5H,1H3
InChIKeyHAAZMOAXEMIBAJ-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.59
Rot. Bonds

About 4-chloro-2-methylquinazoline

4-chloro-2-methylquinazoline (PubChem CID 2785421) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 4-chloro-2-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-methylquinazoline
PubChem CID2785421
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name4-chloro-2-methylquinazoline
SMILESCc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C9H7ClN2/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h2-5H,1H3
InChIKeyHAAZMOAXEMIBAJ-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 4-chloro-2-methylquinazoline?
The IUPAC name of 4-chloro-2-methylquinazoline (CID 2785421) is 4-chloro-2-methylquinazoline.
What is the SMILES notation for 4-chloro-2-methylquinazoline?
The canonical SMILES for 4-chloro-2-methylquinazoline is Cc1nc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-2-methylquinazoline?
The InChIKey is HAAZMOAXEMIBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h2-5H,1H3.
What are the key properties of 4-chloro-2-methylquinazoline?
4-chloro-2-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 4-chloro-2-methylquinazoline is sourced from PubChem (CID 2785421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).