4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline

C16H14N2O3 — CID 158616667

IUPAC4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline
SMILESCOC1CC(c2ccccc2)=Nc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H14N2O3/c1-21-16-10-15(11-5-3-2-4-6-11)17-14-8-7-12(18(19)20)9-13(14)16/h2-9,16H,10H2,1H3
InChIKeyHXMASHLMBCPSSS-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.81
Rot. Bonds3

About 4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline

4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline (PubChem CID 158616667) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline.

Molecular Properties

Compound Name4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline
PubChem CID158616667
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline
SMILESCOC1CC(c2ccccc2)=Nc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H14N2O3/c1-21-16-10-15(11-5-3-2-4-6-11)17-14-8-7-12(18(19)20)9-13(14)16/h2-9,16H,10H2,1H3
InChIKeyHXMASHLMBCPSSS-UHFFFAOYSA-N
XLogP3.81
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.81
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 4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline?
The IUPAC name of 4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline (CID 158616667) is 4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline.
What is the SMILES notation for 4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline?
The canonical SMILES for 4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline is COC1CC(c2ccccc2)=Nc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline?
The InChIKey is HXMASHLMBCPSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-16-10-15(11-5-3-2-4-6-11)17-14-8-7-12(18(19)20)9-13(14)16/h2-9,16H,10H2,1H3.
What are the key properties of 4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline?
4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline has a molecular weight of 282.30 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-nitro-2-phenyl-3,4-dihydroquinoline is sourced from PubChem (CID 158616667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).