2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline

C22H13Cl2NO2 — CID 8966777

IUPAC2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline
SMILESClc1ccc2nc(-c3ccc4c(c3)OCO4)cc(-c3ccccc3Cl)c2c1
InChIInChI=1S/C22H13Cl2NO2/c23-14-6-7-19-17(10-14)16(15-3-1-2-4-18(15)24)11-20(25-19)13-5-8-21-22(9-13)27-12-26-21/h1-11H,12H2
InChIKeyGMMYAIUMKJSTJY-UHFFFAOYSA-N
MW394.26 g/mol
LogP6.60
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline

2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline (PubChem CID 8966777) has the molecular formula C22H13Cl2NO2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline
PubChem CID8966777
Molecular FormulaC22H13Cl2NO2
Molecular Weight394.26 g/mol
Exact Mass393.03
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline
SMILESClc1ccc2nc(-c3ccc4c(c3)OCO4)cc(-c3ccccc3Cl)c2c1
InChIInChI=1S/C22H13Cl2NO2/c23-14-6-7-19-17(10-14)16(15-3-1-2-4-18(15)24)11-20(25-19)13-5-8-21-22(9-13)27-12-26-21/h1-11H,12H2
InChIKeyGMMYAIUMKJSTJY-UHFFFAOYSA-N
XLogP6.60
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.26
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-fluorophenyl)quinoline
CID 8966961
2-(1,3-benzodioxol-5-yl)-4-chloroquinoline
CID 58658852
2-(4-bromophenyl)-6-chloro-4-(2-chlorophenyl)quinoline
CID 12736047
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
3-(1,3-benzodioxol-5-yl)-1-chloroisoquinoline
CID 22503396
3-(1,3-benzodioxol-5-yl)-5-(2-chlorophenyl)-1,2,4-oxadiazole
CID 6459267
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide
CID 3540757
2-(1,3-benzodioxol-5-yl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 5212111
3-(1,3-benzodioxol-5-yl)-4,7-phenanthroline
CID 71482313
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102
2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 756146
3-[6-chloro-4-(2-fluorophenyl)quinolin-2-yl]phenol
CID 8966921

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline (CID 8966777) is 2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline is Clc1ccc2nc(-c3ccc4c(c3)OCO4)cc(-c3ccccc3Cl)c2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline?
The InChIKey is GMMYAIUMKJSTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2NO2/c23-14-6-7-19-17(10-14)16(15-3-1-2-4-18(15)24)11-20(25-19)13-5-8-21-22(9-13)27-12-26-21/h1-11H,12H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline?
2-(1,3-benzodioxol-5-yl)-6-chloro-4-(2-chlorophenyl)quinoline has a molecular weight of 394.26 g/mol, XLogP of 6.60, 2 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)-6-chloro-4-(2-chlorophenyl)quinoline is sourced from PubChem (CID 8966777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).