2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline

C24H16ClN3O3 — CID 25188671

IUPAC2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline
SMILESClc1ccccc1COc1c2cnc3ccccc3c2nn1-c1ccc2c(c1)OCO2
InChIInChI=1S/C24H16ClN3O3/c25-19-7-3-1-5-15(19)13-29-24-18-12-26-20-8-4-2-6-17(20)23(18)27-28(24)16-9-10-21-22(11-16)31-14-30-21/h1-12H,13-14H2
InChIKeyRMPSDPZBGHYHQZ-UHFFFAOYSA-N
MW429.86 g/mol
LogP5.53
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline

2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline (PubChem CID 25188671) has the molecular formula C24H16ClN3O3 and a molecular weight of 429.86 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline
PubChem CID25188671
Molecular FormulaC24H16ClN3O3
Molecular Weight429.86 g/mol
Exact Mass429.09
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline
SMILESClc1ccccc1COc1c2cnc3ccccc3c2nn1-c1ccc2c(c1)OCO2
InChIInChI=1S/C24H16ClN3O3/c25-19-7-3-1-5-15(19)13-29-24-18-12-26-20-8-4-2-6-17(20)23(18)27-28(24)16-9-10-21-22(11-16)31-14-30-21/h1-12H,13-14H2
InChIKeyRMPSDPZBGHYHQZ-UHFFFAOYSA-N
XLogP5.53
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.86
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline (CID 25188671) is 2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline is Clc1ccccc1COc1c2cnc3ccccc3c2nn1-c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline?
The InChIKey is RMPSDPZBGHYHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O3/c25-19-7-3-1-5-15(19)13-29-24-18-12-26-20-8-4-2-6-17(20)23(18)27-28(24)16-9-10-21-22(11-16)31-14-30-21/h1-12H,13-14H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline?
2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline has a molecular weight of 429.86 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-[(2-chlorophenyl)methoxy]pyrazolo[4,3-c]quinoline is sourced from PubChem (CID 25188671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).