6-chloro-3-prop-1-enylquinoline

C12H10ClN — CID 174515069

IUPAC6-chloro-3-prop-1-enylquinoline
SMILESCC=Cc1cnc2ccc(Cl)cc2c1
InChIInChI=1S/C12H10ClN/c1-2-3-9-6-10-7-11(13)4-5-12(10)14-8-9/h2-8H,1H3
InChIKeyIMYFORXTAVNNAY-UHFFFAOYSA-N
MW203.67 g/mol
LogP3.92
Rot. Bonds1

About 6-chloro-3-prop-1-enylquinoline

6-chloro-3-prop-1-enylquinoline (PubChem CID 174515069) has the molecular formula C12H10ClN and a molecular weight of 203.67 g/mol. Its IUPAC name is 6-chloro-3-prop-1-enylquinoline.

Molecular Properties

Compound Name6-chloro-3-prop-1-enylquinoline
PubChem CID174515069
Molecular FormulaC12H10ClN
Molecular Weight203.67 g/mol
Exact Mass203.05
IUPAC Name6-chloro-3-prop-1-enylquinoline
SMILESCC=Cc1cnc2ccc(Cl)cc2c1
InChIInChI=1S/C12H10ClN/c1-2-3-9-6-10-7-11(13)4-5-12(10)14-8-9/h2-8H,1H3
InChIKeyIMYFORXTAVNNAY-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-prop-1-enylquinoline?
The IUPAC name of 6-chloro-3-prop-1-enylquinoline (CID 174515069) is 6-chloro-3-prop-1-enylquinoline.
What is the SMILES notation for 6-chloro-3-prop-1-enylquinoline?
The canonical SMILES for 6-chloro-3-prop-1-enylquinoline is CC=Cc1cnc2ccc(Cl)cc2c1.
What is the InChIKey of 6-chloro-3-prop-1-enylquinoline?
The InChIKey is IMYFORXTAVNNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN/c1-2-3-9-6-10-7-11(13)4-5-12(10)14-8-9/h2-8H,1H3.
What are the key properties of 6-chloro-3-prop-1-enylquinoline?
6-chloro-3-prop-1-enylquinoline has a molecular weight of 203.67 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-prop-1-enylquinoline is sourced from PubChem (CID 174515069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).