7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol

C14H16N3O3+ — CID 4142078

IUPAC7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
SMILESO=[N+]([O-])c1cc(C[NH+]2CCCC2)c2cccnc2c1O
InChIInChI=1S/C14H15N3O3/c18-14-12(17(19)20)8-10(9-16-6-1-2-7-16)11-4-3-5-15-13(11)14/h3-5,8,18H,1-2,6-7,9H2/p+1
InChIKeyZRJDLIPVEZBXHD-UHFFFAOYSA-O
MW274.30 g/mol
LogP1.03
Rot. Bonds3

About 7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol

7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol (PubChem CID 4142078) has the molecular formula C14H16N3O3+ and a molecular weight of 274.30 g/mol. Its IUPAC name is 7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
PubChem CID4142078
Molecular FormulaC14H16N3O3+
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
SMILESO=[N+]([O-])c1cc(C[NH+]2CCCC2)c2cccnc2c1O
InChIInChI=1S/C14H15N3O3/c18-14-12(17(19)20)8-10(9-16-6-1-2-7-16)11-4-3-5-15-13(11)14/h3-5,8,18H,1-2,6-7,9H2/p+1
InChIKeyZRJDLIPVEZBXHD-UHFFFAOYSA-O
XLogP1.03
TPSA80.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
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

5-bromo-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol
CID 4148781
5-(difluoromethyl)-7-nitroquinolin-8-ol
CID 171471368
5-nitroquinolin-8-olate;2-pyrrolidin-1-ium-1-ylethanol
CID 159792761
7-bromo-5-nitroquinolin-8-ol
CID 14125599
7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-nitroquinolin-8-ol
CID 171983224
N-cyclohexyl-8-hydroxy-5-nitroquinoline-7-carboxamide
CID 171343179
5-[[4-(4-nitrophenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 164625644
7-[[(2,4-dimethoxyphenyl)methylamino]methyl]-5-nitroquinolin-8-ol
CID 131987064
2-(5,7-dinitroquinolin-8-yl)sulfanylethanol
CID 2827611
N-[(R)-1,3-benzodioxol-5-yl-(8-hydroxy-5-nitroquinolin-7-yl)methyl]butanamide
CID 2054419
5-chloro-2-deuterio-7-nitroquinolin-8-ol
CID 170982612
1-(5-nitroquinolin-8-yl)propan-2-one
CID 63199171

Frequently Asked Questions

What is the IUPAC name of 7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol (CID 4142078) is 7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol is O=[N+]([O-])c1cc(C[NH+]2CCCC2)c2cccnc2c1O.
What is the InChIKey of 7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol?
The InChIKey is ZRJDLIPVEZBXHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H15N3O3/c18-14-12(17(19)20)8-10(9-16-6-1-2-7-16)11-4-3-5-15-13(11)14/h3-5,8,18H,1-2,6-7,9H2/p+1.
What are the key properties of 7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol?
7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol has a molecular weight of 274.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-5-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 4142078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).