4-chloro-6,8-dimethoxy-2-methylquinazoline

C11H11ClN2O2 — CID 89399960

IUPAC4-chloro-6,8-dimethoxy-2-methylquinazoline
SMILESCOc1cc(OC)c2nc(C)nc(Cl)c2c1
InChIInChI=1S/C11H11ClN2O2/c1-6-13-10-8(11(12)14-6)4-7(15-2)5-9(10)16-3/h4-5H,1-3H3
InChIKeyXNILCLIBPCWZJE-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.61
Rot. Bonds2

About 4-chloro-6,8-dimethoxy-2-methylquinazoline

4-chloro-6,8-dimethoxy-2-methylquinazoline (PubChem CID 89399960) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-chloro-6,8-dimethoxy-2-methylquinazoline.

Molecular Properties

Compound Name4-chloro-6,8-dimethoxy-2-methylquinazoline
PubChem CID89399960
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name4-chloro-6,8-dimethoxy-2-methylquinazoline
SMILESCOc1cc(OC)c2nc(C)nc(Cl)c2c1
InChIInChI=1S/C11H11ClN2O2/c1-6-13-10-8(11(12)14-6)4-7(15-2)5-9(10)16-3/h4-5H,1-3H3
InChIKeyXNILCLIBPCWZJE-UHFFFAOYSA-N
XLogP2.61
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,8-dimethoxy-2-methylquinazoline?
The IUPAC name of 4-chloro-6,8-dimethoxy-2-methylquinazoline (CID 89399960) is 4-chloro-6,8-dimethoxy-2-methylquinazoline.
What is the SMILES notation for 4-chloro-6,8-dimethoxy-2-methylquinazoline?
The canonical SMILES for 4-chloro-6,8-dimethoxy-2-methylquinazoline is COc1cc(OC)c2nc(C)nc(Cl)c2c1.
What is the InChIKey of 4-chloro-6,8-dimethoxy-2-methylquinazoline?
The InChIKey is XNILCLIBPCWZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-6-13-10-8(11(12)14-6)4-7(15-2)5-9(10)16-3/h4-5H,1-3H3.
What are the key properties of 4-chloro-6,8-dimethoxy-2-methylquinazoline?
4-chloro-6,8-dimethoxy-2-methylquinazoline has a molecular weight of 238.67 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,8-dimethoxy-2-methylquinazoline is sourced from PubChem (CID 89399960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).