N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine

C15H13N3O3 — CID 60661662

IUPACN-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine
SMILESO=[N+]([O-])c1ccc(NCCc2ccco2)c2cccnc12
InChIInChI=1S/C15H13N3O3/c19-18(20)14-6-5-13(12-4-1-8-17-15(12)14)16-9-7-11-3-2-10-21-11/h1-6,8,10,16H,7,9H2
InChIKeyNGBGDZGKYFDFOY-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine

N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine (PubChem CID 60661662) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine
PubChem CID60661662
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine
SMILESO=[N+]([O-])c1ccc(NCCc2ccco2)c2cccnc12
InChIInChI=1S/C15H13N3O3/c19-18(20)14-6-5-13(12-4-1-8-17-15(12)14)16-9-7-11-3-2-10-21-11/h1-6,8,10,16H,7,9H2
InChIKeyNGBGDZGKYFDFOY-UHFFFAOYSA-N
XLogP3.39
TPSA81.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.39
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

8-N-[2-(furan-2-yl)ethyl]quinoline-5,8-diamine
CID 61469423
3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
N-(2-methylsulfanylethyl)-8-nitroquinolin-5-amine
CID 60661616
N'-(8-nitroquinolin-5-yl)butane-1,4-diamine
CID 60895239
3-[(8-nitroquinolin-5-yl)amino]propanoic acid
CID 43449368
4-bromo-N-[2-(furan-2-yl)ethyl]-2-nitroaniline
CID 55362529
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
N-(3-methoxypropyl)-8-nitroquinolin-5-amine
CID 43386307
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-[2-(furan-2-yl)ethyl]-3-nitroquinolin-4-amine
CID 103963999
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
N-(2,2-dimethoxyethyl)-8-nitroquinolin-5-amine
CID 107390120

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine (CID 60661662) is N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine is O=[N+]([O-])c1ccc(NCCc2ccco2)c2cccnc12.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine?
The InChIKey is NGBGDZGKYFDFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-18(20)14-6-5-13(12-4-1-8-17-15(12)14)16-9-7-11-3-2-10-21-11/h1-6,8,10,16H,7,9H2.
What are the key properties of N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine?
N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine has a molecular weight of 283.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-8-nitroquinolin-5-amine is sourced from PubChem (CID 60661662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).