2,4-dichloro-6-ethoxy-3-nitroquinoline

C11H8Cl2N2O3 — CID 97181878

IUPAC2,4-dichloro-6-ethoxy-3-nitroquinoline
SMILESCCOc1ccc2nc(Cl)c([N+](=O)[O-])c(Cl)c2c1
InChIInChI=1S/C11H8Cl2N2O3/c1-2-18-6-3-4-8-7(5-6)9(12)10(15(16)17)11(13)14-8/h3-5H,2H2,1H3
InChIKeyZRMYUEVGQNFSBW-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.85
Rot. Bonds3

About 2,4-dichloro-6-ethoxy-3-nitroquinoline

2,4-dichloro-6-ethoxy-3-nitroquinoline (PubChem CID 97181878) has the molecular formula C11H8Cl2N2O3 and a molecular weight of 287.10 g/mol. Its IUPAC name is 2,4-dichloro-6-ethoxy-3-nitroquinoline.

Molecular Properties

Compound Name2,4-dichloro-6-ethoxy-3-nitroquinoline
PubChem CID97181878
Molecular FormulaC11H8Cl2N2O3
Molecular Weight287.10 g/mol
Exact Mass285.99
IUPAC Name2,4-dichloro-6-ethoxy-3-nitroquinoline
SMILESCCOc1ccc2nc(Cl)c([N+](=O)[O-])c(Cl)c2c1
InChIInChI=1S/C11H8Cl2N2O3/c1-2-18-6-3-4-8-7(5-6)9(12)10(15(16)17)11(13)14-8/h3-5H,2H2,1H3
InChIKeyZRMYUEVGQNFSBW-UHFFFAOYSA-N
XLogP3.85
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-ethoxy-3-nitroquinoline
CID 102614031
2,4,7-trichloro-6-methoxy-3-nitroquinoline
CID 97181891
6-ethoxy-2-(nitromethyl)quinoxaline
CID 119090431
4-chloro-6-ethoxy-3-methyl-2-phenylquinoline
CID 104845970
2-chloro-6-ethoxy-3-methylquinoxaline
CID 133062262
6-chloro-N-(4-ethoxyphenyl)-5-nitropyrimidin-4-amine
CID 23477343
6-chloro-2-ethoxyacridin-9-amine
CID 71700026
2-ethoxy-6-nitro-9-(pyridin-4-ylmethyl)acridine;iodomethane
CID 23621119
6-chloro-N-(3-ethoxyphenyl)-5-nitropyrimidin-4-amine
CID 62100386
6-ethoxy-4-methylquinoline-2-carboxylic acid
CID 82574771
2-chloro-N-(4-methoxyphenyl)-3-nitro-7-(trifluoromethyl)quinolin-4-amine;2,4-dichloro-3-nitro-7-(trifluoromethyl)quinoline
CID 161466407
2-chloro-7-ethoxy-3-methylquinoline
CID 145082192

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-ethoxy-3-nitroquinoline?
The IUPAC name of 2,4-dichloro-6-ethoxy-3-nitroquinoline (CID 97181878) is 2,4-dichloro-6-ethoxy-3-nitroquinoline.
What is the SMILES notation for 2,4-dichloro-6-ethoxy-3-nitroquinoline?
The canonical SMILES for 2,4-dichloro-6-ethoxy-3-nitroquinoline is CCOc1ccc2nc(Cl)c([N+](=O)[O-])c(Cl)c2c1.
What is the InChIKey of 2,4-dichloro-6-ethoxy-3-nitroquinoline?
The InChIKey is ZRMYUEVGQNFSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3/c1-2-18-6-3-4-8-7(5-6)9(12)10(15(16)17)11(13)14-8/h3-5H,2H2,1H3.
What are the key properties of 2,4-dichloro-6-ethoxy-3-nitroquinoline?
2,4-dichloro-6-ethoxy-3-nitroquinoline has a molecular weight of 287.10 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-ethoxy-3-nitroquinoline is sourced from PubChem (CID 97181878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).