6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline

C22H20N2O3 — CID 2806411

IUPAC6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(c([N+](=O)[O-])c1)NC(c1ccccc1)CC2c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-27-17-12-19-18(15-8-4-2-5-9-15)14-20(16-10-6-3-7-11-16)23-22(19)21(13-17)24(25)26/h2-13,18,20,23H,14H2,1H3
InChIKeyGRQQEBWLPFHWFS-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.29
Rot. Bonds4

About 6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline

6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 2806411) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline
PubChem CID2806411
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(c([N+](=O)[O-])c1)NC(c1ccccc1)CC2c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-27-17-12-19-18(15-8-4-2-5-9-15)14-20(16-10-6-3-7-11-16)23-22(19)21(13-17)24(25)26/h2-13,18,20,23H,14H2,1H3
InChIKeyGRQQEBWLPFHWFS-UHFFFAOYSA-N
XLogP5.29
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline (CID 2806411) is 6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline is COc1cc2c(c([N+](=O)[O-])c1)NC(c1ccccc1)CC2c1ccccc1.
What is the InChIKey of 6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is GRQQEBWLPFHWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-17-12-19-18(15-8-4-2-5-9-15)14-20(16-10-6-3-7-11-16)23-22(19)21(13-17)24(25)26/h2-13,18,20,23H,14H2,1H3.
What are the key properties of 6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline?
6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 360.41 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-nitro-2,4-diphenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 2806411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).