4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline

C14H12ClNO — CID 166320237

IUPAC4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline
SMILESClc1cc(C2=CCOCC2)nc2ccccc12
InChIInChI=1S/C14H12ClNO/c15-12-9-14(10-5-7-17-8-6-10)16-13-4-2-1-3-11(12)13/h1-5,9H,6-8H2
InChIKeyJOJCLJVCAHTJEA-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.69
Rot. Bonds1

About 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline

4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline (PubChem CID 166320237) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline.

Molecular Properties

Compound Name4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline
PubChem CID166320237
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline
SMILESClc1cc(C2=CCOCC2)nc2ccccc12
InChIInChI=1S/C14H12ClNO/c15-12-9-14(10-5-7-17-8-6-10)16-13-4-2-1-3-11(12)13/h1-5,9H,6-8H2
InChIKeyJOJCLJVCAHTJEA-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline?
The IUPAC name of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline (CID 166320237) is 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline.
What is the SMILES notation for 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline?
The canonical SMILES for 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline is Clc1cc(C2=CCOCC2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline?
The InChIKey is JOJCLJVCAHTJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-12-9-14(10-5-7-17-8-6-10)16-13-4-2-1-3-11(12)13/h1-5,9H,6-8H2.
What are the key properties of 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline?
4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline has a molecular weight of 245.71 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,6-dihydro-2H-pyran-4-yl)quinoline is sourced from PubChem (CID 166320237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).