2-(1,3-benzodioxol-5-yl)-4-chloroquinoline

C16H10ClNO2 — CID 58658852

IUPAC2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
SMILESClc1cc(-c2ccc3c(c2)OCO3)nc2ccccc12
InChIInChI=1S/C16H10ClNO2/c17-12-8-14(18-13-4-2-1-3-11(12)13)10-5-6-15-16(7-10)20-9-19-15/h1-8H,9H2
InChIKeyPWWJDOGTDPLLGD-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.28
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-4-chloroquinoline

2-(1,3-benzodioxol-5-yl)-4-chloroquinoline (PubChem CID 58658852) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-4-chloroquinoline.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
PubChem CID58658852
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
SMILESClc1cc(-c2ccc3c(c2)OCO3)nc2ccccc12
InChIInChI=1S/C16H10ClNO2/c17-12-8-14(18-13-4-2-1-3-11(12)13)10-5-6-15-16(7-10)20-9-19-15/h1-8H,9H2
InChIKeyPWWJDOGTDPLLGD-UHFFFAOYSA-N
XLogP4.28
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-chloroquinoline?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-chloroquinoline (CID 58658852) is 2-(1,3-benzodioxol-5-yl)-4-chloroquinoline.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-4-chloroquinoline?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-4-chloroquinoline is Clc1cc(-c2ccc3c(c2)OCO3)nc2ccccc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-4-chloroquinoline?
The InChIKey is PWWJDOGTDPLLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-12-8-14(18-13-4-2-1-3-11(12)13)10-5-6-15-16(7-10)20-9-19-15/h1-8H,9H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-4-chloroquinoline?
2-(1,3-benzodioxol-5-yl)-4-chloroquinoline has a molecular weight of 283.71 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-4-chloroquinoline is sourced from PubChem (CID 58658852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).