4-chloro-2-methyl-6-propan-2-yloxyquinoline

C13H14ClNO — CID 22693554

IUPAC4-chloro-2-methyl-6-propan-2-yloxyquinoline
SMILESCc1cc(Cl)c2cc(OC(C)C)ccc2n1
InChIInChI=1S/C13H14ClNO/c1-8(2)16-10-4-5-13-11(7-10)12(14)6-9(3)15-13/h4-8H,1-3H3
InChIKeyLSUCFUOMBWNQKW-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.98
Rot. Bonds2

About 4-chloro-2-methyl-6-propan-2-yloxyquinoline

4-chloro-2-methyl-6-propan-2-yloxyquinoline (PubChem CID 22693554) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-propan-2-yloxyquinoline.

Molecular Properties

Compound Name4-chloro-2-methyl-6-propan-2-yloxyquinoline
PubChem CID22693554
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name4-chloro-2-methyl-6-propan-2-yloxyquinoline
SMILESCc1cc(Cl)c2cc(OC(C)C)ccc2n1
InChIInChI=1S/C13H14ClNO/c1-8(2)16-10-4-5-13-11(7-10)12(14)6-9(3)15-13/h4-8H,1-3H3
InChIKeyLSUCFUOMBWNQKW-UHFFFAOYSA-N
XLogP3.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-propan-2-yloxyquinoline?
The IUPAC name of 4-chloro-2-methyl-6-propan-2-yloxyquinoline (CID 22693554) is 4-chloro-2-methyl-6-propan-2-yloxyquinoline.
What is the SMILES notation for 4-chloro-2-methyl-6-propan-2-yloxyquinoline?
The canonical SMILES for 4-chloro-2-methyl-6-propan-2-yloxyquinoline is Cc1cc(Cl)c2cc(OC(C)C)ccc2n1.
What is the InChIKey of 4-chloro-2-methyl-6-propan-2-yloxyquinoline?
The InChIKey is LSUCFUOMBWNQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-8(2)16-10-4-5-13-11(7-10)12(14)6-9(3)15-13/h4-8H,1-3H3.
What are the key properties of 4-chloro-2-methyl-6-propan-2-yloxyquinoline?
4-chloro-2-methyl-6-propan-2-yloxyquinoline has a molecular weight of 235.71 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-propan-2-yloxyquinoline is sourced from PubChem (CID 22693554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).