N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine

C15H18N4O2 — CID 83067222

IUPACN-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1c1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C15H18N4O2/c1-16-10-11-4-3-9-18(11)13-7-8-17-15-12(13)5-2-6-14(15)19(20)21/h2,5-8,11,16H,3-4,9-10H2,1H3
InChIKeyGUAXQIBWZJBWMX-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.33
Rot. Bonds4

About N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine

N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine (PubChem CID 83067222) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine
PubChem CID83067222
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1c1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C15H18N4O2/c1-16-10-11-4-3-9-18(11)13-7-8-17-15-12(13)5-2-6-14(15)19(20)21/h2,5-8,11,16H,3-4,9-10H2,1H3
InChIKeyGUAXQIBWZJBWMX-UHFFFAOYSA-N
XLogP2.33
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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-(1-quinolin-4-ylpyrrolidin-2-yl)methanamine
CID 62585638
N-methyl-1-[1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidin-2-yl]methanamine
CID 115316991
1-[1-(5-fluoro-2-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 113285361
4-[(3R)-3-methylpiperazin-1-yl]-8-nitroquinoline
CID 104976042
N-methyl-1-[1-(5-nitroquinolin-8-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120712067
1-(8-nitroquinolin-5-yl)pyrrolidine-2-carboxylic acid
CID 43449364
1-[1-(2,4-dinitrophenyl)piperidin-2-yl]-N-methylmethanamine
CID 63253560
1-[1-(2-fluoro-5-methoxy-4-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 107260531
1-[1-(4-iodo-2-nitrophenyl)piperidin-2-yl]-N-methylmethanamine
CID 66080118
N-methyl-3-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-nitrobenzamide
CID 82993291
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 82813140
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115317049

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine (CID 83067222) is N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine is CNCC1CCCN1c1ccnc2c([N+](=O)[O-])cccc12.
What is the InChIKey of N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is GUAXQIBWZJBWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-16-10-11-4-3-9-18(11)13-7-8-17-15-12(13)5-2-6-14(15)19(20)21/h2,5-8,11,16H,3-4,9-10H2,1H3.
What are the key properties of N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine?
N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 286.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 83067222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).