5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine

C14H16N4O2 — CID 62540611

IUPAC5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCC2CCCN2)ccc2ncccc12
InChIInChI=1S/C14H16N4O2/c19-18(20)14-11-4-2-8-16-12(11)5-6-13(14)17-9-10-3-1-7-15-10/h2,4-6,8,10,15,17H,1,3,7,9H2
InChIKeyQCKQRGGGSYYXAC-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.31
Rot. Bonds4

About 5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine

5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine (PubChem CID 62540611) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine.

Molecular Properties

Compound Name5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine
PubChem CID62540611
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCC2CCCN2)ccc2ncccc12
InChIInChI=1S/C14H16N4O2/c19-18(20)14-11-4-2-8-16-12(11)5-6-13(14)17-9-10-3-1-7-15-10/h2,4-6,8,10,15,17H,1,3,7,9H2
InChIKeyQCKQRGGGSYYXAC-UHFFFAOYSA-N
XLogP2.31
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
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

5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine
CID 104972848
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine
CID 47280331
8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
CID 104973546
N-(1,4-dithian-2-ylmethyl)-5-nitroquinolin-6-amine
CID 115685346
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
4-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-benzothiazol-5-amine
CID 62542535
5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
CID 60970060
5-nitro-N-(1H-pyrazol-5-ylmethyl)quinolin-6-amine
CID 61284113
N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine
CID 43803919
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine
CID 56584812
6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
CID 103918121

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine?
The IUPAC name of 5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine (CID 62540611) is 5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine.
What is the SMILES notation for 5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine?
The canonical SMILES for 5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine is O=[N+]([O-])c1c(NCC2CCCN2)ccc2ncccc12.
What is the InChIKey of 5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine?
The InChIKey is QCKQRGGGSYYXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-18(20)14-11-4-2-8-16-12(11)5-6-13(14)17-9-10-3-1-7-15-10/h2,4-6,8,10,15,17H,1,3,7,9H2.
What are the key properties of 5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine?
5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine has a molecular weight of 272.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine is sourced from PubChem (CID 62540611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).