5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine

C15H18N4O2 — CID 104972848

IUPAC5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCC[C@H]2CCCN2)ccc2ncccc12
InChIInChI=1S/C15H18N4O2/c20-19(21)15-12-4-2-9-17-13(12)5-6-14(15)18-10-7-11-3-1-8-16-11/h2,4-6,9,11,16,18H,1,3,7-8,10H2/t11-/m1/s1
InChIKeyPCMVQTZVRDDSCV-LLVKDONJSA-N
MW286.33 g/mol
LogP2.70
Rot. Bonds5

About 5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine

5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine (PubChem CID 104972848) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine.

Molecular Properties

Compound Name5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine
PubChem CID104972848
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCC[C@H]2CCCN2)ccc2ncccc12
InChIInChI=1S/C15H18N4O2/c20-19(21)15-12-4-2-9-17-13(12)5-6-14(15)18-10-7-11-3-1-8-16-11/h2,4-6,9,11,16,18H,1,3,7-8,10H2/t11-/m1/s1
InChIKeyPCMVQTZVRDDSCV-LLVKDONJSA-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-(pyrrolidin-2-ylmethyl)quinolin-6-amine
CID 62540611
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
CID 104973546
5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
CID 60970060
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
3-ethoxy-2-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]aniline
CID 104973218
5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine
CID 47280331
3-nitro-2-(2-pyrrolidin-2-ylethylamino)pyridine-4-carbonitrile
CID 114794553
6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
CID 103918121
5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine
CID 51117035
N'-(5-nitroquinolin-6-yl)-N-phenylpropane-1,3-diamine
CID 86938939
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104972861

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine?
The IUPAC name of 5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine (CID 104972848) is 5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine.
What is the SMILES notation for 5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine?
The canonical SMILES for 5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine is O=[N+]([O-])c1c(NCC[C@H]2CCCN2)ccc2ncccc12.
What is the InChIKey of 5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine?
The InChIKey is PCMVQTZVRDDSCV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-19(21)15-12-4-2-9-17-13(12)5-6-14(15)18-10-7-11-3-1-8-16-11/h2,4-6,9,11,16,18H,1,3,7-8,10H2/t11-/m1/s1.
What are the key properties of 5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine?
5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-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 5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine is sourced from PubChem (CID 104972848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).