N-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine

C15H18N4O2 — CID 115317072

IUPACN-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1c1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H18N4O2/c1-16-10-13-3-2-8-18(13)15-7-4-11-9-12(19(20)21)5-6-14(11)17-15/h4-7,9,13,16H,2-3,8,10H2,1H3
InChIKeyRRWNNEWURTUGKC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.33
Rot. Bonds4

About N-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine

N-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine (PubChem CID 115317072) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine
PubChem CID115317072
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1c1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C15H18N4O2/c1-16-10-13-3-2-8-18(13)15-7-4-11-9-12(19(20)21)5-6-14(11)17-15/h4-7,9,13,16H,2-3,8,10H2,1H3
InChIKeyRRWNNEWURTUGKC-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-(6-nitroquinolin-2-yl)piperidin-3-amine
CID 62545842
2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline
CID 133357796
N-methyl-1-[1-(2-methyl-4-nitrophenyl)piperidin-2-yl]methanamine
CID 63254111
N-methyl-1-(6-nitroquinolin-2-yl)pyrrolidin-3-amine
CID 115300813
1-[1-(2,4-dinitrophenyl)piperidin-2-yl]-N-methylmethanamine
CID 63253560
N-methyl-1-[1-(2-methyl-5-nitrophenyl)piperidin-2-yl]methanamine
CID 63253758
2-(azetidin-1-yl)-6-nitroquinoline
CID 121008923
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
CID 120964801
(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol
CID 107225336
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-5-nitrophenyl)methanone;hydrochloride
CID 119649039
1-[1-(3-fluoro-5-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 113285358
2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315162

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine (CID 115317072) is N-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine is CNCC1CCCN1c1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is RRWNNEWURTUGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-16-10-13-3-2-8-18(13)15-7-4-11-9-12(19(20)21)5-6-14(11)17-15/h4-7,9,13,16H,2-3,8,10H2,1H3.
What are the key properties of N-methyl-1-[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine?
N-methyl-1-[1-(6-nitroquinolin-2-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-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115317072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).