7-chloro-4-methylquinazoline;ethane

C11H13ClN2 — CID 142542904

IUPAC7-chloro-4-methylquinazoline;ethane
SMILESCC.Cc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C9H7ClN2.C2H6/c1-6-8-3-2-7(10)4-9(8)12-5-11-6;1-2/h2-5H,1H3;1-2H3
InChIKeyNQXVOHNBDWPHQB-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.62
Rot. Bonds

About 7-chloro-4-methylquinazoline;ethane

7-chloro-4-methylquinazoline;ethane (PubChem CID 142542904) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 7-chloro-4-methylquinazoline;ethane.

Molecular Properties

Compound Name7-chloro-4-methylquinazoline;ethane
PubChem CID142542904
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name7-chloro-4-methylquinazoline;ethane
SMILESCC.Cc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C9H7ClN2.C2H6/c1-6-8-3-2-7(10)4-9(8)12-5-11-6;1-2/h2-5H,1H3;1-2H3
InChIKeyNQXVOHNBDWPHQB-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methylquinazoline;ethane?
The IUPAC name of 7-chloro-4-methylquinazoline;ethane (CID 142542904) is 7-chloro-4-methylquinazoline;ethane.
What is the SMILES notation for 7-chloro-4-methylquinazoline;ethane?
The canonical SMILES for 7-chloro-4-methylquinazoline;ethane is CC.Cc1ncnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-4-methylquinazoline;ethane?
The InChIKey is NQXVOHNBDWPHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2.C2H6/c1-6-8-3-2-7(10)4-9(8)12-5-11-6;1-2/h2-5H,1H3;1-2H3.
What are the key properties of 7-chloro-4-methylquinazoline;ethane?
7-chloro-4-methylquinazoline;ethane has a molecular weight of 208.69 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methylquinazoline;ethane is sourced from PubChem (CID 142542904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).