2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline

C17H10Cl2N2O2 — CID 7972371

IUPAC2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline
SMILESO=[N+]([O-])c1cccc2ccc(/C=C/c3ccc(Cl)cc3Cl)nc12
InChIInChI=1S/C17H10Cl2N2O2/c18-13-7-4-11(15(19)10-13)5-8-14-9-6-12-2-1-3-16(21(22)23)17(12)20-14/h1-10H/b8-5+
InChIKeyRWXCSITZJMRWMY-VMPITWQZSA-N
MW345.19 g/mol
LogP5.62
Rot. Bonds3

About 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline

2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline (PubChem CID 7972371) has the molecular formula C17H10Cl2N2O2 and a molecular weight of 345.19 g/mol. Its IUPAC name is 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline.

Molecular Properties

Compound Name2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline
PubChem CID7972371
Molecular FormulaC17H10Cl2N2O2
Molecular Weight345.19 g/mol
Exact Mass344.01
IUPAC Name2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline
SMILESO=[N+]([O-])c1cccc2ccc(/C=C/c3ccc(Cl)cc3Cl)nc12
InChIInChI=1S/C17H10Cl2N2O2/c18-13-7-4-11(15(19)10-13)5-8-14-9-6-12-2-1-3-16(21(22)23)17(12)20-14/h1-10H/b8-5+
InChIKeyRWXCSITZJMRWMY-VMPITWQZSA-N
XLogP5.62
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.19
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-8-nitroquinoline
CID 7972380
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 4815960
2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 4820170
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 7528482
2-[(E)-2-(2-ethoxyphenyl)ethenyl]-8-nitroquinoline
CID 6214122
8-nitro-2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]quinoline
CID 16797010
2,4-bis[2-(2,4-dichlorophenyl)ethenyl]-1,3,5-trinitrobenzene
CID 141365640
2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-ol
CID 17139302
2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6024519
(E)-3-(2,4-dichlorophenyl)-1-(1-methyl-4-nitropyrazol-3-yl)prop-2-en-1-one
CID 19544209
2-chloro-3-methyl-8-nitroquinoline
CID 86241531
3-(3-chlorophenyl)sulfonyl-8-nitroquinoline
CID 67313867

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline?
The IUPAC name of 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline (CID 7972371) is 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline.
What is the SMILES notation for 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline?
The canonical SMILES for 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline is O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc(Cl)cc3Cl)nc12.
What is the InChIKey of 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline?
The InChIKey is RWXCSITZJMRWMY-VMPITWQZSA-N. The full InChI is InChI=1S/C17H10Cl2N2O2/c18-13-7-4-11(15(19)10-13)5-8-14-9-6-12-2-1-3-16(21(22)23)17(12)20-14/h1-10H/b8-5+.
What are the key properties of 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline?
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline has a molecular weight of 345.19 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline is sourced from PubChem (CID 7972371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).