3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline

C18H13ClN2O3 — CID 11405090

IUPAC3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline
SMILESCOc1nc2ccccc2cc1/C=C/c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H13ClN2O3/c1-24-18-14(10-12-4-2-3-5-16(12)20-18)7-6-13-11-15(19)8-9-17(13)21(22)23/h2-11H,1H3/b7-6+
InChIKeyQFRUBQGWQYGZTK-VOTSOKGWSA-N
MW340.77 g/mol
LogP4.98
Rot. Bonds4

About 3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline

3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline (PubChem CID 11405090) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is 3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline.

Molecular Properties

Compound Name3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline
PubChem CID11405090
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline
SMILESCOc1nc2ccccc2cc1/C=C/c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C18H13ClN2O3/c1-24-18-14(10-12-4-2-3-5-16(12)20-18)7-6-13-11-15(19)8-9-17(13)21(22)23/h2-11H,1H3/b7-6+
InChIKeyQFRUBQGWQYGZTK-VOTSOKGWSA-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-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline
CID 11738716
2-methoxy-3-[(E)-2-[2-nitro-5-[(4-sulfanylpiperazin-1-yl)methyl]phenyl]ethenyl]quinoline
CID 142981829
2-methoxy-3-[(E)-2-[2-nitro-5-(2-piperidin-1-ylethoxy)phenyl]ethenyl]quinoline
CID 11189704
2-methoxy-3-[(E)-2-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-nitrophenyl]ethenyl]quinoline
CID 11271626
(E)-3-(2-methoxyquinolin-3-yl)prop-2-enoate
CID 7042099
2-(iodomethyl)-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline
CID 89373275
1-(5-chloro-2-nitrophenyl)-N-methoxymethanimine
CID 141425579
(E)-3-(5-chloro-2-nitrophenyl)-1-phenylprop-2-en-1-one
CID 10732055
3-(5-chloro-2-nitrophenyl)-N-methylprop-2-en-1-amine
CID 169473983
(E)-4-(5-chloro-2-nitrophenyl)but-3-en-2-ol
CID 5363193
(Z)-3-(5-chloro-2-nitrophenyl)prop-2-enoic acid
CID 97115039
3-(5-chloro-2-nitrophenyl)prop-2-enoic acid
CID 602317

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline?
The IUPAC name of 3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline (CID 11405090) is 3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline.
What is the SMILES notation for 3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline?
The canonical SMILES for 3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline is COc1nc2ccccc2cc1/C=C/c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline?
The InChIKey is QFRUBQGWQYGZTK-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c1-24-18-14(10-12-4-2-3-5-16(12)20-18)7-6-13-11-15(19)8-9-17(13)21(22)23/h2-11H,1H3/b7-6+.
What are the key properties of 3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline?
3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline 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 3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline is sourced from PubChem (CID 11405090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).