2-methyl-8-[(3-nitrophenyl)methoxy]quinoline

C17H14N2O3 — CID 952033

IUPAC2-methyl-8-[(3-nitrophenyl)methoxy]quinoline
SMILESCc1ccc2cccc(OCc3cccc([N+](=O)[O-])c3)c2n1
InChIInChI=1S/C17H14N2O3/c1-12-8-9-14-5-3-7-16(17(14)18-12)22-11-13-4-2-6-15(10-13)19(20)21/h2-10H,11H2,1H3
InChIKeySBGNHPPLMHOEPI-UHFFFAOYSA-N
MW294.31 g/mol
LogP4.03
Rot. Bonds4

About 2-methyl-8-[(3-nitrophenyl)methoxy]quinoline

2-methyl-8-[(3-nitrophenyl)methoxy]quinoline (PubChem CID 952033) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-methyl-8-[(3-nitrophenyl)methoxy]quinoline.

Molecular Properties

Compound Name2-methyl-8-[(3-nitrophenyl)methoxy]quinoline
PubChem CID952033
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-methyl-8-[(3-nitrophenyl)methoxy]quinoline
SMILESCc1ccc2cccc(OCc3cccc([N+](=O)[O-])c3)c2n1
InChIInChI=1S/C17H14N2O3/c1-12-8-9-14-5-3-7-16(17(14)18-12)22-11-13-4-2-6-15(10-13)19(20)21/h2-10H,11H2,1H3
InChIKeySBGNHPPLMHOEPI-UHFFFAOYSA-N
XLogP4.03
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 54.03
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[(3-nitrophenyl)methoxy]quinoline?
The IUPAC name of 2-methyl-8-[(3-nitrophenyl)methoxy]quinoline (CID 952033) is 2-methyl-8-[(3-nitrophenyl)methoxy]quinoline.
What is the SMILES notation for 2-methyl-8-[(3-nitrophenyl)methoxy]quinoline?
The canonical SMILES for 2-methyl-8-[(3-nitrophenyl)methoxy]quinoline is Cc1ccc2cccc(OCc3cccc([N+](=O)[O-])c3)c2n1.
What is the InChIKey of 2-methyl-8-[(3-nitrophenyl)methoxy]quinoline?
The InChIKey is SBGNHPPLMHOEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-12-8-9-14-5-3-7-16(17(14)18-12)22-11-13-4-2-6-15(10-13)19(20)21/h2-10H,11H2,1H3.
What are the key properties of 2-methyl-8-[(3-nitrophenyl)methoxy]quinoline?
2-methyl-8-[(3-nitrophenyl)methoxy]quinoline has a molecular weight of 294.31 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[(3-nitrophenyl)methoxy]quinoline is sourced from PubChem (CID 952033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).