8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine

C15H18N4O2 — CID 104973546

IUPAC8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
SMILESO=[N+]([O-])c1ccc(NCC[C@@H]2CCCN2)c2cccnc12
InChIInChI=1S/C15H18N4O2/c20-19(21)14-6-5-13(12-4-2-9-18-15(12)14)17-10-7-11-3-1-8-16-11/h2,4-6,9,11,16-17H,1,3,7-8,10H2/t11-/m0/s1
InChIKeyABGJBMOMYMPRTO-NSHDSACASA-N
MW286.33 g/mol
LogP2.70
Rot. Bonds5

About 8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine

8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine (PubChem CID 104973546) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine.

Molecular Properties

Compound Name8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
PubChem CID104973546
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
SMILESO=[N+]([O-])c1ccc(NCC[C@@H]2CCCN2)c2cccnc12
InChIInChI=1S/C15H18N4O2/c20-19(21)14-6-5-13(12-4-2-9-18-15(12)14)17-10-7-11-3-1-8-16-11/h2,4-6,9,11,16-17H,1,3,7-8,10H2/t11-/m0/s1
InChIKeyABGJBMOMYMPRTO-NSHDSACASA-N
XLogP2.70
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.70
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
4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,1,3-benzoxadiazol-7-amine
CID 104973311
5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-8-amine
CID 103142364
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine
CID 62540611
3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one
CID 62091958
3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
4-methyl-2-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]aniline
CID 104972924
N-(2-methylsulfanylethyl)-8-nitroquinolin-5-amine
CID 60661616

Frequently Asked Questions

What is the IUPAC name of 8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine?
The IUPAC name of 8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine (CID 104973546) is 8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine.
What is the SMILES notation for 8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine?
The canonical SMILES for 8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine is O=[N+]([O-])c1ccc(NCC[C@@H]2CCCN2)c2cccnc12.
What is the InChIKey of 8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine?
The InChIKey is ABGJBMOMYMPRTO-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4O2/c20-19(21)14-6-5-13(12-4-2-9-18-15(12)14)17-10-7-11-3-1-8-16-11/h2,4-6,9,11,16-17H,1,3,7-8,10H2/t11-/m0/s1.
What are the key properties of 8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine?
8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine has a molecular weight of 286.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine is sourced from PubChem (CID 104973546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).