N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine

C14H13N5O2 — CID 61324302

IUPACN-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NCCn3ccnc3)ccc2c1
InChIInChI=1S/C14H13N5O2/c20-19(21)12-2-3-13-11(9-12)1-4-14(17-13)16-6-8-18-7-5-15-10-18/h1-5,7,9-10H,6,8H2,(H,16,17)
InChIKeyKCGBBUDVDOZYNO-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.45
Rot. Bonds5

About N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine

N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine (PubChem CID 61324302) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine
PubChem CID61324302
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC NameN-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NCCn3ccnc3)ccc2c1
InChIInChI=1S/C14H13N5O2/c20-19(21)12-2-3-13-11(9-12)1-4-14(17-13)16-6-8-18-7-5-15-10-18/h1-5,7,9-10H,6,8H2,(H,16,17)
InChIKeyKCGBBUDVDOZYNO-UHFFFAOYSA-N
XLogP2.45
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-(2-imidazol-1-ylethylamino)quinoline-6-carbonitrile
CID 75505975
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
6-nitro-N-propylquinolin-2-amine
CID 43450859
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
CID 107302495
6-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]quinolin-2-amine
CID 11619309
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
2-N-(2-imidazol-1-ylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80808353
N-(2-ethylsulfinylethyl)-6-nitroquinolin-2-amine
CID 115631435
N-(2-imidazol-1-ylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78955202
2-fluoro-N-(2-imidazol-1-ylethyl)-5-nitrobenzamide
CID 61325737
N-(3-butoxypropyl)-6-nitroquinolin-2-amine
CID 78894533

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine (CID 61324302) is N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine is O=[N+]([O-])c1ccc2nc(NCCn3ccnc3)ccc2c1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine?
The InChIKey is KCGBBUDVDOZYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c20-19(21)12-2-3-13-11(9-12)1-4-14(17-13)16-6-8-18-7-5-15-10-18/h1-5,7,9-10H,6,8H2,(H,16,17).
What are the key properties of N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine?
N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine has a molecular weight of 283.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-6-nitroquinolin-2-amine is sourced from PubChem (CID 61324302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).