4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline

C18H13ClN2O3 — CID 125496720

IUPAC4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline
SMILESCOc1ccc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)cc(Cl)c2c1
InChIInChI=1S/C18H13ClN2O3/c1-24-15-8-9-18-16(11-15)17(19)10-13(20-18)5-2-12-3-6-14(7-4-12)21(22)23/h2-11H,1H3/b5-2+
InChIKeyIEVGGTCRMHNARB-GORDUTHDSA-N
MW340.77 g/mol
LogP4.98
Rot. Bonds4

About 4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline

4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline (PubChem CID 125496720) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is 4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline.

Molecular Properties

Compound Name4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline
PubChem CID125496720
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline
SMILESCOc1ccc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)cc(Cl)c2c1
InChIInChI=1S/C18H13ClN2O3/c1-24-15-8-9-18-16(11-15)17(19)10-13(20-18)5-2-12-3-6-14(7-4-12)21(22)23/h2-11H,1H3/b5-2+
InChIKeyIEVGGTCRMHNARB-GORDUTHDSA-N
XLogP4.98
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919
1-[2-(4-methoxyphenyl)ethenyl]-3-[2-(4-nitrophenyl)ethenyl]benzene
CID 67928044
9-[2-(4-methoxyphenyl)ethenyl]-10-[2-(4-nitrophenyl)ethenyl]anthracene
CID 139774271
N-[6-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 162656938
6-iodo-3-(3-methoxyphenyl)-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-one
CID 4271756
5-methoxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2-[(E)-2-phenylethenyl]indole
CID 176905162
1,3,5-trimethoxy-2,4,6-tris[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 15542576
2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6024519
1,2,3-trimethoxy-5-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 14256048
6-methoxy-N-[(4-nitrophenyl)methylideneamino]-2-phenylquinolin-4-amine
CID 44537075
6-chloro-2-[2-(4-methoxyphenyl)ethenyl]quinoline
CID 71329713
6-methoxy-2-[(E)-2-phenylethenyl]quinoline
CID 71716208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline?
The IUPAC name of 4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline (CID 125496720) is 4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline.
What is the SMILES notation for 4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline?
The canonical SMILES for 4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline is COc1ccc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)cc(Cl)c2c1.
What is the InChIKey of 4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline?
The InChIKey is IEVGGTCRMHNARB-GORDUTHDSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c1-24-15-8-9-18-16(11-15)17(19)10-13(20-18)5-2-12-3-6-14(7-4-12)21(22)23/h2-11H,1H3/b5-2+.
What are the key properties of 4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline?
4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline has a molecular weight of 340.77 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-2-[(E)-2-(4-nitrophenyl)ethenyl]quinoline is sourced from PubChem (CID 125496720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).