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

C18H23N3O3 — CID 31539522

IUPACN-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NCCCOC2CCCCC2)c2ncccc12
InChIInChI=1S/C18H23N3O3/c22-21(23)17-10-9-16(18-15(17)8-4-11-20-18)19-12-5-13-24-14-6-2-1-3-7-14/h4,8-11,14,19H,1-3,5-7,12-13H2
InChIKeyMCHRCIQHMLQUDZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.29
Rot. Bonds7

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

N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine (PubChem CID 31539522) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
PubChem CID31539522
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NCCCOC2CCCCC2)c2ncccc12
InChIInChI=1S/C18H23N3O3/c22-21(23)17-10-9-16(18-15(17)8-4-11-20-18)19-12-5-13-24-14-6-2-1-3-7-14/h4,8-11,14,19H,1-3,5-7,12-13H2
InChIKeyMCHRCIQHMLQUDZ-UHFFFAOYSA-N
XLogP4.29
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
N-[2-(2-methylphenoxy)ethyl]-5-nitroquinolin-8-amine
CID 3119297
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492
N-(3-methoxypropyl)-8-nitroquinolin-5-amine
CID 43386307
5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine
CID 2867395
N-(2-cyclopentyloxyethyl)-3-nitropyridin-2-amine
CID 55031819
N-[3-[(5-nitroquinolin-8-yl)amino]propyl]methanesulfonamide
CID 36729613
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
N'-cyclopropyl-N'-ethyl-N-(5-nitroquinolin-8-yl)ethane-1,2-diamine
CID 133354869

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine?
The IUPAC name of N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine (CID 31539522) is N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine is O=[N+]([O-])c1ccc(NCCCOC2CCCCC2)c2ncccc12.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine?
The InChIKey is MCHRCIQHMLQUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-21(23)17-10-9-16(18-15(17)8-4-11-20-18)19-12-5-13-24-14-6-2-1-3-7-14/h4,8-11,14,19H,1-3,5-7,12-13H2.
What are the key properties of N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine?
N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine has a molecular weight of 329.40 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine is sourced from PubChem (CID 31539522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).