4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile

C24H20Cl2N4O — CID 69374199

IUPAC4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile
SMILESCN(C)CCOc1cccc2c1ccc1c(Nc3ccc(Cl)cc3Cl)c(C#N)cnc12
InChIInChI=1S/C24H20Cl2N4O/c1-30(2)10-11-31-22-5-3-4-18-17(22)7-8-19-23(15(13-27)14-28-24(18)19)29-21-9-6-16(25)12-20(21)26/h3-9,12,14H,10-11H2,1-2H3,(H,28,29)
InChIKeyFKFOJCFSAUCFCQ-UHFFFAOYSA-N
MW451.36 g/mol
LogP6.25
Rot. Bonds6

About 4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile

4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile (PubChem CID 69374199) has the molecular formula C24H20Cl2N4O and a molecular weight of 451.36 g/mol. Its IUPAC name is 4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile
PubChem CID69374199
Molecular FormulaC24H20Cl2N4O
Molecular Weight451.36 g/mol
Exact Mass450.10
IUPAC Name4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile
SMILESCN(C)CCOc1cccc2c1ccc1c(Nc3ccc(Cl)cc3Cl)c(C#N)cnc12
InChIInChI=1S/C24H20Cl2N4O/c1-30(2)10-11-31-22-5-3-4-18-17(22)7-8-19-23(15(13-27)14-28-24(18)19)29-21-9-6-16(25)12-20(21)26/h3-9,12,14H,10-11H2,1-2H3,(H,28,29)
InChIKeyFKFOJCFSAUCFCQ-UHFFFAOYSA-N
XLogP6.25
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile
CID 27371729
4-chloro-7-methoxybenzo[h]quinoline-3-carbonitrile
CID 69374001
4-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]-2-[2-[2-(dimethylamino)ethoxy]phenyl]thieno[2,3-b]pyridine-5-carbonitrile
CID 69473007
4-(4-chloro-2-methylanilino)quinoline-3-carbonitrile
CID 43669095
4-(2,4-dichloro-5-methoxyanilino)-7-methoxy-8-[2-(triazol-1-yl)ethoxy]benzo[h]quinoline-3-carbonitrile
CID 69373305
4-(5-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 43669136
8-amino-4-[4-(dimethylamino)anilino]quinoline-3-carbonitrile
CID 57076882
4-(3-chloroanilino)-6-[methyl(pyridin-3-yl)amino]quinoline-3,8-dicarbonitrile
CID 69259334
5-amino-2-(2,4-dichloroanilino)pyridine-3-carbonitrile
CID 54938417
6-chloro-4-(2,4-dimethoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 71779766
4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328902
6-amino-4-[2-(dimethylamino)ethoxy]pyridine-3-carbonitrile
CID 118037497

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile?
The IUPAC name of 4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile (CID 69374199) is 4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile is CN(C)CCOc1cccc2c1ccc1c(Nc3ccc(Cl)cc3Cl)c(C#N)cnc12.
What is the InChIKey of 4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile?
The InChIKey is FKFOJCFSAUCFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O/c1-30(2)10-11-31-22-5-3-4-18-17(22)7-8-19-23(15(13-27)14-28-24(18)19)29-21-9-6-16(25)12-20(21)26/h3-9,12,14H,10-11H2,1-2H3,(H,28,29).
What are the key properties of 4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile?
4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile has a molecular weight of 451.36 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloroanilino)-7-[2-(dimethylamino)ethoxy]benzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 69374199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).