8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline

C15H15N3O3 — CID 62475365

IUPAC8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc([N+](=O)[O-])cnc1Oc1cccc2c1NCCC2
InChIInChI=1S/C15H15N3O3/c1-10-8-12(18(19)20)9-17-15(10)21-13-6-2-4-11-5-3-7-16-14(11)13/h2,4,6,8-9,16H,3,5,7H2,1H3
InChIKeyZVDQNYVUBRJVLT-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.45
Rot. Bonds3

About 8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline

8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 62475365) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
PubChem CID62475365
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
SMILESCc1cc([N+](=O)[O-])cnc1Oc1cccc2c1NCCC2
InChIInChI=1S/C15H15N3O3/c1-10-8-12(18(19)20)9-17-15(10)21-13-6-2-4-11-5-3-7-16-14(11)13/h2,4,6,8-9,16H,3,5,7H2,1H3
InChIKeyZVDQNYVUBRJVLT-UHFFFAOYSA-N
XLogP3.45
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.45
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 8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline (CID 62475365) is 8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline is Cc1cc([N+](=O)[O-])cnc1Oc1cccc2c1NCCC2.
What is the InChIKey of 8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZVDQNYVUBRJVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-8-12(18(19)20)9-17-15(10)21-13-6-2-4-11-5-3-7-16-14(11)13/h2,4,6,8-9,16H,3,5,7H2,1H3.
What are the key properties of 8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline?
8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 285.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 62475365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).