7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline

C20H20N4O3 — CID 167813405

IUPAC7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline
SMILESCOc1ccc2c(N3CCC(c4cnccc4C)C3)c([N+](=O)[O-])cnc2c1
InChIInChI=1S/C20H20N4O3/c1-13-5-7-21-10-17(13)14-6-8-23(12-14)20-16-4-3-15(27-2)9-18(16)22-11-19(20)24(25)26/h3-5,7,9-11,14H,6,8,12H2,1-2H3
InChIKeyJRCXEANNGZYRQF-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.85
Rot. Bonds4

About 7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline

7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline (PubChem CID 167813405) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline.

Molecular Properties

Compound Name7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline
PubChem CID167813405
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline
SMILESCOc1ccc2c(N3CCC(c4cnccc4C)C3)c([N+](=O)[O-])cnc2c1
InChIInChI=1S/C20H20N4O3/c1-13-5-7-21-10-17(13)14-6-8-23(12-14)20-16-4-3-15(27-2)9-18(16)22-11-19(20)24(25)26/h3-5,7,9-11,14H,6,8,12H2,1-2H3
InChIKeyJRCXEANNGZYRQF-UHFFFAOYSA-N
XLogP3.85
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol
CID 114680956
4-[(7-methoxy-3-nitroquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122059889
6-methoxy-4-methyl-3-nitroquinoline
CID 612778
1-(6-bromo-3-nitroquinolin-4-yl)-N-methylpyrrolidin-3-amine
CID 115300891
tert-butyl 1-(3-cyano-7-methoxyquinolin-4-yl)-3-methylpiperidine-4-carboxylate
CID 142290702
1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde
CID 103964899
5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-8-nitroisoquinoline
CID 25410129
1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673427
N-(4-methoxy-2-methylphenyl)-3-nitropyridin-4-amine
CID 161454492
N-(4-methoxy-2-methylphenyl)-3-nitropyridin-4-amine
CID 90117018
7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline
CID 162748489
1-cyclopropyl-2-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]benzimidazole
CID 166359652

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline?
The IUPAC name of 7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline (CID 167813405) is 7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline.
What is the SMILES notation for 7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline?
The canonical SMILES for 7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline is COc1ccc2c(N3CCC(c4cnccc4C)C3)c([N+](=O)[O-])cnc2c1.
What is the InChIKey of 7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline?
The InChIKey is JRCXEANNGZYRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-5-7-21-10-17(13)14-6-8-23(12-14)20-16-4-3-15(27-2)9-18(16)22-11-19(20)24(25)26/h3-5,7,9-11,14H,6,8,12H2,1-2H3.
What are the key properties of 7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline?
7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline has a molecular weight of 364.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[3-(4-methyl-3-pyridinyl)pyrrolidin-1-yl]-3-nitroquinoline is sourced from PubChem (CID 167813405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).