N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine

C15H18N4O2 — CID 62545842

IUPACN-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine
SMILESCNC1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1
InChIInChI=1S/C15H18N4O2/c1-16-12-3-2-8-18(10-12)15-7-4-11-9-13(19(20)21)5-6-14(11)17-15/h4-7,9,12,16H,2-3,8,10H2,1H3
InChIKeyGAMKZSUGFGIXMN-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.33
Rot. Bonds3

About N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine

N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine (PubChem CID 62545842) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine
PubChem CID62545842
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine
SMILESCNC1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1
InChIInChI=1S/C15H18N4O2/c1-16-12-3-2-8-18(10-12)15-7-4-11-9-13(19(20)21)5-6-14(11)17-15/h4-7,9,12,16H,2-3,8,10H2,1H3
InChIKeyGAMKZSUGFGIXMN-UHFFFAOYSA-N
XLogP2.33
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.33
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

N-methyl-1-(6-nitroquinolin-2-yl)pyrrolidin-3-amine
CID 115300813
N-[(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-yl]butanamide
CID 96567403
(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol
CID 107225336
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
CID 120964801
2-(azetidin-1-yl)-6-nitroquinoline
CID 121008923
2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315162
N-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine
CID 115317072
N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide
CID 133287688
1-(6-nitroquinolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331698
1-(6-nitroquinolin-2-yl)azetidin-3-ol
CID 63282678
6-nitro-2-[(3S)-3-phenylpyrrolidin-1-yl]quinoline
CID 129320590
methyl-[(3R)-1-(6-nitroquinolin-2-yl)pyrrolidin-3-yl]carbamic acid
CID 69058174

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine?
The IUPAC name of N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine (CID 62545842) is N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine is CNC1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1.
What is the InChIKey of N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine?
The InChIKey is GAMKZSUGFGIXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-16-12-3-2-8-18(10-12)15-7-4-11-9-13(19(20)21)5-6-14(11)17-15/h4-7,9,12,16H,2-3,8,10H2,1H3.
What are the key properties of N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine?
N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine has a molecular weight of 286.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine is sourced from PubChem (CID 62545842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).