2-tert-butyl-4-chloro-5,8-dimethoxyquinoline

C15H18ClNO2 — CID 43668703

IUPAC2-tert-butyl-4-chloro-5,8-dimethoxyquinoline
SMILESCOc1ccc(OC)c2c(Cl)cc(C(C)(C)C)nc12
InChIInChI=1S/C15H18ClNO2/c1-15(2,3)12-8-9(16)13-10(18-4)6-7-11(19-5)14(13)17-12/h6-8H,1-5H3
InChIKeySKZJRMNPWATZGV-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.20
Rot. Bonds2

About 2-tert-butyl-4-chloro-5,8-dimethoxyquinoline

2-tert-butyl-4-chloro-5,8-dimethoxyquinoline (PubChem CID 43668703) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5,8-dimethoxyquinoline.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5,8-dimethoxyquinoline
PubChem CID43668703
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name2-tert-butyl-4-chloro-5,8-dimethoxyquinoline
SMILESCOc1ccc(OC)c2c(Cl)cc(C(C)(C)C)nc12
InChIInChI=1S/C15H18ClNO2/c1-15(2,3)12-8-9(16)13-10(18-4)6-7-11(19-5)14(13)17-12/h6-8H,1-5H3
InChIKeySKZJRMNPWATZGV-UHFFFAOYSA-N
XLogP4.20
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5,8-dimethoxyquinoline?
The IUPAC name of 2-tert-butyl-4-chloro-5,8-dimethoxyquinoline (CID 43668703) is 2-tert-butyl-4-chloro-5,8-dimethoxyquinoline.
What is the SMILES notation for 2-tert-butyl-4-chloro-5,8-dimethoxyquinoline?
The canonical SMILES for 2-tert-butyl-4-chloro-5,8-dimethoxyquinoline is COc1ccc(OC)c2c(Cl)cc(C(C)(C)C)nc12.
What is the InChIKey of 2-tert-butyl-4-chloro-5,8-dimethoxyquinoline?
The InChIKey is SKZJRMNPWATZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-15(2,3)12-8-9(16)13-10(18-4)6-7-11(19-5)14(13)17-12/h6-8H,1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-5,8-dimethoxyquinoline?
2-tert-butyl-4-chloro-5,8-dimethoxyquinoline has a molecular weight of 279.77 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5,8-dimethoxyquinoline is sourced from PubChem (CID 43668703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).