N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine

C16H19N3O3 — CID 133399168

IUPACN-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine
SMILESCOC1CCCC(Nc2ccc([N+](=O)[O-])c3cccnc23)C1
InChIInChI=1S/C16H19N3O3/c1-22-12-5-2-4-11(10-12)18-14-7-8-15(19(20)21)13-6-3-9-17-16(13)14/h3,6-9,11-12,18H,2,4-5,10H2,1H3
InChIKeyYYWIWTUBCIEMHF-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.51
Rot. Bonds4

About N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine

N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine (PubChem CID 133399168) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine
PubChem CID133399168
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine
SMILESCOC1CCCC(Nc2ccc([N+](=O)[O-])c3cccnc23)C1
InChIInChI=1S/C16H19N3O3/c1-22-12-5-2-4-11(10-12)18-14-7-8-15(19(20)21)13-6-3-9-17-16(13)14/h3,6-9,11-12,18H,2,4-5,10H2,1H3
InChIKeyYYWIWTUBCIEMHF-UHFFFAOYSA-N
XLogP3.51
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.51
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

N-(3-ethylsulfinylcyclohexyl)-5-nitroquinolin-8-amine
CID 133338025
N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine
CID 103704192
N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine
CID 31655000
N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-nitroquinolin-8-amine
CID 133348605
4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 46238574
2-[(1R,3S)-3-methoxycyclohexyl]oxy-3-nitropyridine
CID 58421668
N-(3-methoxycyclohexyl)quinolin-5-amine
CID 106871532
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
1-cyclopropyl-4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 133357470
2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine
CID 106871796
N-(3-methoxycyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 106872073

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine?
The IUPAC name of N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine (CID 133399168) is N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine is COC1CCCC(Nc2ccc([N+](=O)[O-])c3cccnc23)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine?
The InChIKey is YYWIWTUBCIEMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-22-12-5-2-4-11(10-12)18-14-7-8-15(19(20)21)13-6-3-9-17-16(13)14/h3,6-9,11-12,18H,2,4-5,10H2,1H3.
What are the key properties of N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine?
N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine has a molecular weight of 301.35 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine is sourced from PubChem (CID 133399168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).