2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline

C19H15ClN2O4 — CID 4820170

IUPAC2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline
SMILESCOc1cc(C=Cc2ccc3cccc([N+](=O)[O-])c3n2)cc(Cl)c1OC
InChIInChI=1S/C19H15ClN2O4/c1-25-17-11-12(10-15(20)19(17)26-2)6-8-14-9-7-13-4-3-5-16(22(23)24)18(13)21-14/h3-11H,1-2H3
InChIKeyUDPTYFXWLQZNHU-UHFFFAOYSA-N
MW370.79 g/mol
LogP4.98
Rot. Bonds5

About 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline

2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline (PubChem CID 4820170) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline.

Molecular Properties

Compound Name2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline
PubChem CID4820170
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline
SMILESCOc1cc(C=Cc2ccc3cccc([N+](=O)[O-])c3n2)cc(Cl)c1OC
InChIInChI=1S/C19H15ClN2O4/c1-25-17-11-12(10-15(20)19(17)26-2)6-8-14-9-7-13-4-3-5-16(22(23)24)18(13)21-14/h3-11H,1-2H3
InChIKeyUDPTYFXWLQZNHU-UHFFFAOYSA-N
XLogP4.98
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-methoxyquinoline
CID 2949244
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 7528482
2-[2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline
CID 4815960
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline
CID 7972371
7-chloro-2-[(E)-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]quinoline
CID 18230825
8-nitro-2-[(E)-2-(3-nitro-4-propan-2-ylphenyl)ethenyl]quinoline
CID 16797010
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-nitrophenyl)prop-2-enamide
CID 51057586
2-[(E)-2-[2,4-bis(difluoromethoxy)phenyl]ethenyl]-8-nitroquinoline
CID 7972380
2-iodo-6-methoxy-4-[(E)-2-(5-nitroquinolin-2-yl)ethenyl]phenol
CID 135557857
2-[(E)-2-(3-chlorophenyl)ethenyl]-8-methoxyquinoline
CID 7210372
2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-5-nitroquinoline
CID 9447581
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] (E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate
CID 18287617

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline?
The IUPAC name of 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline (CID 4820170) is 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline.
What is the SMILES notation for 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline?
The canonical SMILES for 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline is COc1cc(C=Cc2ccc3cccc([N+](=O)[O-])c3n2)cc(Cl)c1OC.
What is the InChIKey of 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline?
The InChIKey is UDPTYFXWLQZNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-25-17-11-12(10-15(20)19(17)26-2)6-8-14-9-7-13-4-3-5-16(22(23)24)18(13)21-14/h3-11H,1-2H3.
What are the key properties of 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline?
2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline has a molecular weight of 370.79 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-8-nitroquinoline is sourced from PubChem (CID 4820170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).