4-cyclopentyl-8-methoxy-5-nitroquinoline

C15H16N2O3 — CID 155676091

IUPAC4-cyclopentyl-8-methoxy-5-nitroquinoline
SMILESCOc1ccc([N+](=O)[O-])c2c(C3CCCC3)ccnc12
InChIInChI=1S/C15H16N2O3/c1-20-13-7-6-12(17(18)19)14-11(8-9-16-15(13)14)10-4-2-3-5-10/h6-10H,2-5H2,1H3
InChIKeyZBNWKKGGVPUIJW-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.81
Rot. Bonds3

About 4-cyclopentyl-8-methoxy-5-nitroquinoline

4-cyclopentyl-8-methoxy-5-nitroquinoline (PubChem CID 155676091) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-cyclopentyl-8-methoxy-5-nitroquinoline.

Molecular Properties

Compound Name4-cyclopentyl-8-methoxy-5-nitroquinoline
PubChem CID155676091
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-cyclopentyl-8-methoxy-5-nitroquinoline
SMILESCOc1ccc([N+](=O)[O-])c2c(C3CCCC3)ccnc12
InChIInChI=1S/C15H16N2O3/c1-20-13-7-6-12(17(18)19)14-11(8-9-16-15(13)14)10-4-2-3-5-10/h6-10H,2-5H2,1H3
InChIKeyZBNWKKGGVPUIJW-UHFFFAOYSA-N
XLogP3.81
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
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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Related Compounds

4-chloro-5-methoxy-8-nitroquinoline
CID 19592414
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
4-bromo-N-cyclohexyl-2-methoxy-6-nitroaniline
CID 118338125
methyl 7-methoxy-4-nitro-2H-indazole-3-carboxylate
CID 71811115
9-chloro-4-methoxy-1-nitroacridine
CID 18505069
methoxymethane;4-methoxy-3-nitropyridine
CID 155689380
4-chloro-2-cyclohexyl-1-nitrobenzene
CID 12007670
N-cyclohexyl-4-methoxy-3-nitrobenzamide
CID 711599
4-bromo-8-methoxy-6-methyl-5-nitroquinoline
CID 11738035
4,5-dichloro-8-methoxyquinoline
CID 43531957
(3aR,4R,9bR)-6-methoxy-9-nitro-4-pyridin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 6979929
2-bromo-6-methoxy-3-nitrobenzenethiol
CID 171008206

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-8-methoxy-5-nitroquinoline?
The IUPAC name of 4-cyclopentyl-8-methoxy-5-nitroquinoline (CID 155676091) is 4-cyclopentyl-8-methoxy-5-nitroquinoline.
What is the SMILES notation for 4-cyclopentyl-8-methoxy-5-nitroquinoline?
The canonical SMILES for 4-cyclopentyl-8-methoxy-5-nitroquinoline is COc1ccc([N+](=O)[O-])c2c(C3CCCC3)ccnc12.
What is the InChIKey of 4-cyclopentyl-8-methoxy-5-nitroquinoline?
The InChIKey is ZBNWKKGGVPUIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-13-7-6-12(17(18)19)14-11(8-9-16-15(13)14)10-4-2-3-5-10/h6-10H,2-5H2,1H3.
What are the key properties of 4-cyclopentyl-8-methoxy-5-nitroquinoline?
4-cyclopentyl-8-methoxy-5-nitroquinoline has a molecular weight of 272.30 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-cyclopentyl-8-methoxy-5-nitroquinoline is sourced from PubChem (CID 155676091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).