4-chloro-2,8-dimethylquinazoline

C10H9ClN2 — CID 71721381

IUPAC4-chloro-2,8-dimethylquinazoline
SMILESCc1nc(Cl)c2cccc(C)c2n1
InChIInChI=1S/C10H9ClN2/c1-6-4-3-5-8-9(6)12-7(2)13-10(8)11/h3-5H,1-2H3
InChIKeyAYJKZUDPYRCGNM-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.90
Rot. Bonds

About 4-chloro-2,8-dimethylquinazoline

4-chloro-2,8-dimethylquinazoline (PubChem CID 71721381) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 4-chloro-2,8-dimethylquinazoline.

Molecular Properties

Compound Name4-chloro-2,8-dimethylquinazoline
PubChem CID71721381
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name4-chloro-2,8-dimethylquinazoline
SMILESCc1nc(Cl)c2cccc(C)c2n1
InChIInChI=1S/C10H9ClN2/c1-6-4-3-5-8-9(6)12-7(2)13-10(8)11/h3-5H,1-2H3
InChIKeyAYJKZUDPYRCGNM-UHFFFAOYSA-N
XLogP2.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,8-dimethylquinazoline?
The IUPAC name of 4-chloro-2,8-dimethylquinazoline (CID 71721381) is 4-chloro-2,8-dimethylquinazoline.
What is the SMILES notation for 4-chloro-2,8-dimethylquinazoline?
The canonical SMILES for 4-chloro-2,8-dimethylquinazoline is Cc1nc(Cl)c2cccc(C)c2n1.
What is the InChIKey of 4-chloro-2,8-dimethylquinazoline?
The InChIKey is AYJKZUDPYRCGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-6-4-3-5-8-9(6)12-7(2)13-10(8)11/h3-5H,1-2H3.
What are the key properties of 4-chloro-2,8-dimethylquinazoline?
4-chloro-2,8-dimethylquinazoline has a molecular weight of 192.65 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,8-dimethylquinazoline is sourced from PubChem (CID 71721381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).