4-chloro-6,6,8-trimethyl-5H-quinazoline

C11H13ClN2 — CID 87167347

IUPAC4-chloro-6,6,8-trimethyl-5H-quinazoline
SMILESCC1=CC(C)(C)Cc2c(Cl)ncnc21
InChIInChI=1S/C11H13ClN2/c1-7-4-11(2,3)5-8-9(7)13-6-14-10(8)12/h4,6H,5H2,1-3H3
InChIKeyWQBCOMACGLAYEZ-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.12
Rot. Bonds

About 4-chloro-6,6,8-trimethyl-5H-quinazoline

4-chloro-6,6,8-trimethyl-5H-quinazoline (PubChem CID 87167347) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 4-chloro-6,6,8-trimethyl-5H-quinazoline.

Molecular Properties

Compound Name4-chloro-6,6,8-trimethyl-5H-quinazoline
PubChem CID87167347
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name4-chloro-6,6,8-trimethyl-5H-quinazoline
SMILESCC1=CC(C)(C)Cc2c(Cl)ncnc21
InChIInChI=1S/C11H13ClN2/c1-7-4-11(2,3)5-8-9(7)13-6-14-10(8)12/h4,6H,5H2,1-3H3
InChIKeyWQBCOMACGLAYEZ-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,6,8-trimethyl-5H-quinazoline?
The IUPAC name of 4-chloro-6,6,8-trimethyl-5H-quinazoline (CID 87167347) is 4-chloro-6,6,8-trimethyl-5H-quinazoline.
What is the SMILES notation for 4-chloro-6,6,8-trimethyl-5H-quinazoline?
The canonical SMILES for 4-chloro-6,6,8-trimethyl-5H-quinazoline is CC1=CC(C)(C)Cc2c(Cl)ncnc21.
What is the InChIKey of 4-chloro-6,6,8-trimethyl-5H-quinazoline?
The InChIKey is WQBCOMACGLAYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-7-4-11(2,3)5-8-9(7)13-6-14-10(8)12/h4,6H,5H2,1-3H3.
What are the key properties of 4-chloro-6,6,8-trimethyl-5H-quinazoline?
4-chloro-6,6,8-trimethyl-5H-quinazoline has a molecular weight of 208.69 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,6,8-trimethyl-5H-quinazoline is sourced from PubChem (CID 87167347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).