6-methyl-2-(3-nitrophenyl)quinoline;morpholine

C20H21N3O3 — CID 174706704

IUPAC6-methyl-2-(3-nitrophenyl)quinoline;morpholine
SMILESC1COCCN1.Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)ccc2c1
InChIInChI=1S/C16H12N2O2.C4H9NO/c1-11-5-7-15-13(9-11)6-8-16(17-15)12-3-2-4-14(10-12)18(19)20;1-3-6-4-2-5-1/h2-10H,1H3;5H,1-4H2
InChIKeyXGDLHRIWLNGDNI-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.72
Rot. Bonds2

About 6-methyl-2-(3-nitrophenyl)quinoline;morpholine

6-methyl-2-(3-nitrophenyl)quinoline;morpholine (PubChem CID 174706704) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-methyl-2-(3-nitrophenyl)quinoline;morpholine.

Molecular Properties

Compound Name6-methyl-2-(3-nitrophenyl)quinoline;morpholine
PubChem CID174706704
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name6-methyl-2-(3-nitrophenyl)quinoline;morpholine
SMILESC1COCCN1.Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)ccc2c1
InChIInChI=1S/C16H12N2O2.C4H9NO/c1-11-5-7-15-13(9-11)6-8-16(17-15)12-3-2-4-14(10-12)18(19)20;1-3-6-4-2-5-1/h2-10H,1H3;5H,1-4H2
InChIKeyXGDLHRIWLNGDNI-UHFFFAOYSA-N
XLogP3.72
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
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-methyl-2-(3-nitrophenyl)quinoline;morpholine?
The IUPAC name of 6-methyl-2-(3-nitrophenyl)quinoline;morpholine (CID 174706704) is 6-methyl-2-(3-nitrophenyl)quinoline;morpholine.
What is the SMILES notation for 6-methyl-2-(3-nitrophenyl)quinoline;morpholine?
The canonical SMILES for 6-methyl-2-(3-nitrophenyl)quinoline;morpholine is C1COCCN1.Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3)ccc2c1.
What is the InChIKey of 6-methyl-2-(3-nitrophenyl)quinoline;morpholine?
The InChIKey is XGDLHRIWLNGDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2.C4H9NO/c1-11-5-7-15-13(9-11)6-8-16(17-15)12-3-2-4-14(10-12)18(19)20;1-3-6-4-2-5-1/h2-10H,1H3;5H,1-4H2.
What are the key properties of 6-methyl-2-(3-nitrophenyl)quinoline;morpholine?
6-methyl-2-(3-nitrophenyl)quinoline;morpholine has a molecular weight of 351.41 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-nitrophenyl)quinoline;morpholine is sourced from PubChem (CID 174706704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).