4-chloro-7-propan-2-yloxyquinoline

C12H12ClNO — CID 78324000

IUPAC4-chloro-7-propan-2-yloxyquinoline
SMILESCC(C)Oc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C12H12ClNO/c1-8(2)15-9-3-4-10-11(13)5-6-14-12(10)7-9/h3-8H,1-2H3
InChIKeyIYHGIXNQQYLSSP-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.68
Rot. Bonds2

About 4-chloro-7-propan-2-yloxyquinoline

4-chloro-7-propan-2-yloxyquinoline (PubChem CID 78324000) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 4-chloro-7-propan-2-yloxyquinoline.

Molecular Properties

Compound Name4-chloro-7-propan-2-yloxyquinoline
PubChem CID78324000
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name4-chloro-7-propan-2-yloxyquinoline
SMILESCC(C)Oc1ccc2c(Cl)ccnc2c1
InChIInChI=1S/C12H12ClNO/c1-8(2)15-9-3-4-10-11(13)5-6-14-12(10)7-9/h3-8H,1-2H3
InChIKeyIYHGIXNQQYLSSP-UHFFFAOYSA-N
XLogP3.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-propan-2-yloxyquinoline?
The IUPAC name of 4-chloro-7-propan-2-yloxyquinoline (CID 78324000) is 4-chloro-7-propan-2-yloxyquinoline.
What is the SMILES notation for 4-chloro-7-propan-2-yloxyquinoline?
The canonical SMILES for 4-chloro-7-propan-2-yloxyquinoline is CC(C)Oc1ccc2c(Cl)ccnc2c1.
What is the InChIKey of 4-chloro-7-propan-2-yloxyquinoline?
The InChIKey is IYHGIXNQQYLSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-8(2)15-9-3-4-10-11(13)5-6-14-12(10)7-9/h3-8H,1-2H3.
What are the key properties of 4-chloro-7-propan-2-yloxyquinoline?
4-chloro-7-propan-2-yloxyquinoline has a molecular weight of 221.69 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-propan-2-yloxyquinoline is sourced from PubChem (CID 78324000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).