2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline

C24H20ClN3 — CID 123740790

IUPAC2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
SMILESClc1cc(-c2cccc3c2CN(CCc2ccc4ccccc4n2)C3)ccn1
InChIInChI=1S/C24H20ClN3/c25-24-14-18(10-12-26-24)21-6-3-5-19-15-28(16-22(19)21)13-11-20-9-8-17-4-1-2-7-23(17)27-20/h1-10,12,14H,11,13,15-16H2
InChIKeyRBAMWVFNFYGLEL-UHFFFAOYSA-N
MW385.90 g/mol
LogP5.51
Rot. Bonds4

About 2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline

2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline (PubChem CID 123740790) has the molecular formula C24H20ClN3 and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
PubChem CID123740790
Molecular FormulaC24H20ClN3
Molecular Weight385.90 g/mol
Exact Mass385.13
IUPAC Name2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
SMILESClc1cc(-c2cccc3c2CN(CCc2ccc4ccccc4n2)C3)ccn1
InChIInChI=1S/C24H20ClN3/c25-24-14-18(10-12-26-24)21-6-3-5-19-15-28(16-22(19)21)13-11-20-9-8-17-4-1-2-7-23(17)27-20/h1-10,12,14H,11,13,15-16H2
InChIKeyRBAMWVFNFYGLEL-UHFFFAOYSA-N
XLogP5.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.90
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71499204
2-[2-[4-(3H-benzimidazol-5-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
CID 141362054
7-(2-chloro-4-pyridinyl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one;2,2,2-trifluoroacetic acid
CID 89314281
2-[2-[4-(4-fluorophenyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
CID 71152387
2-[2-[4-(3,6-dimethoxypyridazin-4-yl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline
CID 71152577
5-[2-(4-pyridin-4-yl-1,3-dihydroisoindol-2-yl)ethyl]thieno[3,2-b]pyridine
CID 141362078
2-[2-[4-(1H-pyrazol-4-yl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]quinoline
CID 71152219
7-quinolin-5-yl-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149739
7-(2,3-dihydro-1H-indol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 141362065
5-[3-oxo-2-(2-quinolin-2-ylethyl)-1H-isoindol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 71149359
7-(1,3-benzodioxol-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149628
7-(2-methoxypyrimidin-5-yl)-2-(2-quinolin-2-ylethyl)-3H-isoindol-1-one
CID 71149254

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline?
The IUPAC name of 2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline (CID 123740790) is 2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline.
What is the SMILES notation for 2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline?
The canonical SMILES for 2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline is Clc1cc(-c2cccc3c2CN(CCc2ccc4ccccc4n2)C3)ccn1.
What is the InChIKey of 2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline?
The InChIKey is RBAMWVFNFYGLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3/c25-24-14-18(10-12-26-24)21-6-3-5-19-15-28(16-22(19)21)13-11-20-9-8-17-4-1-2-7-23(17)27-20/h1-10,12,14H,11,13,15-16H2.
What are the key properties of 2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline?
2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline has a molecular weight of 385.90 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-chloro-4-pyridinyl)-1,3-dihydroisoindol-2-yl]ethyl]quinoline is sourced from PubChem (CID 123740790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).