1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid

C15H15N3O4 — CID 120964801

IUPAC1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1
InChIInChI=1S/C15H15N3O4/c19-15(20)11-2-1-7-17(9-11)14-6-3-10-8-12(18(21)22)4-5-13(10)16-14/h3-6,8,11H,1-2,7,9H2,(H,19,20)
InChIKeyBJBOCFSHDIQISR-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.44
Rot. Bonds3

About 1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid

1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid (PubChem CID 120964801) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
PubChem CID120964801
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1
InChIInChI=1S/C15H15N3O4/c19-15(20)11-2-1-7-17(9-11)14-6-3-10-8-12(18(21)22)4-5-13(10)16-14/h3-6,8,11H,1-2,7,9H2,(H,19,20)
InChIKeyBJBOCFSHDIQISR-UHFFFAOYSA-N
XLogP2.44
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.44
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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Related Compounds

(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol
CID 107225336
1-(6-nitroquinolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331698
N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine
CID 62545842
2-(azetidin-1-yl)-6-nitroquinoline
CID 121008923
methyl-[(3R)-1-(6-nitroquinolin-2-yl)pyrrolidin-3-yl]carbamic acid
CID 69058174
2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315162
(3S)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid
CID 92863878
1-(6-nitroquinolin-2-yl)azetidin-3-ol
CID 63282678
N-[(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-yl]butanamide
CID 96567403
6-nitro-2-[(3S)-3-phenylpyrrolidin-1-yl]quinoline
CID 129320590
N-methyl-1-(6-nitroquinolin-2-yl)pyrrolidin-3-amine
CID 115300813
(3R)-1-(5-nitro-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
CID 97169191

Frequently Asked Questions

What is the IUPAC name of 1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid (CID 120964801) is 1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1.
What is the InChIKey of 1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is BJBOCFSHDIQISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-15(20)11-2-1-7-17(9-11)14-6-3-10-8-12(18(21)22)4-5-13(10)16-14/h3-6,8,11H,1-2,7,9H2,(H,19,20).
What are the key properties of 1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid?
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 120964801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).