2-tert-butyl-6-chloro-4-methylquinazoline

C13H15ClN2 — CID 58810669

IUPAC2-tert-butyl-6-chloro-4-methylquinazoline
SMILESCc1nc(C(C)(C)C)nc2ccc(Cl)cc12
InChIInChI=1S/C13H15ClN2/c1-8-10-7-9(14)5-6-11(10)16-12(15-8)13(2,3)4/h5-7H,1-4H3
InChIKeyCNSBSUYHIAGVBM-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.89
Rot. Bonds

About 2-tert-butyl-6-chloro-4-methylquinazoline

2-tert-butyl-6-chloro-4-methylquinazoline (PubChem CID 58810669) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-4-methylquinazoline.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-4-methylquinazoline
PubChem CID58810669
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-tert-butyl-6-chloro-4-methylquinazoline
SMILESCc1nc(C(C)(C)C)nc2ccc(Cl)cc12
InChIInChI=1S/C13H15ClN2/c1-8-10-7-9(14)5-6-11(10)16-12(15-8)13(2,3)4/h5-7H,1-4H3
InChIKeyCNSBSUYHIAGVBM-UHFFFAOYSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-4-methylquinazoline?
The IUPAC name of 2-tert-butyl-6-chloro-4-methylquinazoline (CID 58810669) is 2-tert-butyl-6-chloro-4-methylquinazoline.
What is the SMILES notation for 2-tert-butyl-6-chloro-4-methylquinazoline?
The canonical SMILES for 2-tert-butyl-6-chloro-4-methylquinazoline is Cc1nc(C(C)(C)C)nc2ccc(Cl)cc12.
What is the InChIKey of 2-tert-butyl-6-chloro-4-methylquinazoline?
The InChIKey is CNSBSUYHIAGVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-8-10-7-9(14)5-6-11(10)16-12(15-8)13(2,3)4/h5-7H,1-4H3.
What are the key properties of 2-tert-butyl-6-chloro-4-methylquinazoline?
2-tert-butyl-6-chloro-4-methylquinazoline has a molecular weight of 234.73 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-4-methylquinazoline is sourced from PubChem (CID 58810669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).