6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline

C19H18N2O4 — CID 571384

IUPAC6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline
SMILESCOc1cc([N+](=O)[O-])c2nccc(C)c2c1OCCc1ccccc1
InChIInChI=1S/C19H18N2O4/c1-13-8-10-20-18-15(21(22)23)12-16(24-2)19(17(13)18)25-11-9-14-6-4-3-5-7-14/h3-8,10,12H,9,11H2,1-2H3
InChIKeyFYCVMRGONSDDSX-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.08
Rot. Bonds6

About 6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline

6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline (PubChem CID 571384) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline.

Molecular Properties

Compound Name6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline
PubChem CID571384
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline
SMILESCOc1cc([N+](=O)[O-])c2nccc(C)c2c1OCCc1ccccc1
InChIInChI=1S/C19H18N2O4/c1-13-8-10-20-18-15(21(22)23)12-16(24-2)19(17(13)18)25-11-9-14-6-4-3-5-7-14/h3-8,10,12H,9,11H2,1-2H3
InChIKeyFYCVMRGONSDDSX-UHFFFAOYSA-N
XLogP4.08
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.08
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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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline?
The IUPAC name of 6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline (CID 571384) is 6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline.
What is the SMILES notation for 6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline?
The canonical SMILES for 6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline is COc1cc([N+](=O)[O-])c2nccc(C)c2c1OCCc1ccccc1.
What is the InChIKey of 6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline?
The InChIKey is FYCVMRGONSDDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-13-8-10-20-18-15(21(22)23)12-16(24-2)19(17(13)18)25-11-9-14-6-4-3-5-7-14/h3-8,10,12H,9,11H2,1-2H3.
What are the key properties of 6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline?
6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline has a molecular weight of 338.36 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-8-nitro-5-(2-phenylethoxy)quinoline is sourced from PubChem (CID 571384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).