N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine

C15H15N3O2 — CID 103964104

IUPACN-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine
SMILESO=[N+]([O-])c1cnc2ccccc2c1NC1CC=CCC1
InChIInChI=1S/C15H15N3O2/c19-18(20)14-10-16-13-9-5-4-8-12(13)15(14)17-11-6-2-1-3-7-11/h1-2,4-5,8-11H,3,6-7H2,(H,16,17)
InChIKeyOHLQTBXEUNPXHL-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.66
Rot. Bonds3

About N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine

N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine (PubChem CID 103964104) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine
PubChem CID103964104
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine
SMILESO=[N+]([O-])c1cnc2ccccc2c1NC1CC=CCC1
InChIInChI=1S/C15H15N3O2/c19-18(20)14-10-16-13-9-5-4-8-12(13)15(14)17-11-6-2-1-3-7-11/h1-2,4-5,8-11H,3,6-7H2,(H,16,17)
InChIKeyOHLQTBXEUNPXHL-UHFFFAOYSA-N
XLogP3.66
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-(3-nitroquinolin-4-yl)cyclobutane-1,3-diamine
CID 103964750
N-(1-methylpyrrolidin-3-yl)-3-nitroquinolin-4-amine
CID 103964018
N-cyclohex-3-en-1-yl-7-fluoro-5-nitroquinolin-8-amine
CID 83164838
N-[(1R)-1-cyclohexylethyl]-3-nitroquinolin-4-amine
CID 162716248
tert-butyl N-[(1R,3S)-3-[(3-nitroquinolin-4-yl)amino]cyclopentyl]carbamate
CID 154079962
N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine
CID 79177090
N-(3-nitroquinolin-4-yl)methanesulfinamide
CID 164871225
N-(2-bromoprop-2-enyl)-3-nitroquinolin-4-amine
CID 113465098
3-nitro-N-[1-(trifluoromethyl)cyclopropyl]quinolin-4-amine
CID 106214705
N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 106329770
2-[(3-nitroquinolin-4-yl)amino]propan-1-ol
CID 14700381
N-[2-(cyclopenten-1-yl)ethyl]-3-nitroquinolin-4-amine
CID 106177604

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine (CID 103964104) is N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine is O=[N+]([O-])c1cnc2ccccc2c1NC1CC=CCC1.
What is the InChIKey of N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine?
The InChIKey is OHLQTBXEUNPXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-18(20)14-10-16-13-9-5-4-8-12(13)15(14)17-11-6-2-1-3-7-11/h1-2,4-5,8-11H,3,6-7H2,(H,16,17).
What are the key properties of N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine?
N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine has a molecular weight of 269.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-3-nitroquinolin-4-amine is sourced from PubChem (CID 103964104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).