N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine

C16H19N3O2 — CID 43803919

IUPACN-(2-methylcyclohexyl)-5-nitroquinolin-6-amine
SMILESCC1CCCCC1Nc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C16H19N3O2/c1-11-5-2-3-7-13(11)18-15-9-8-14-12(6-4-10-17-14)16(15)19(20)21/h4,6,8-11,13,18H,2-3,5,7H2,1H3
InChIKeySXCFRLBPFGDWID-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.13
Rot. Bonds3

About N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine

N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine (PubChem CID 43803919) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-5-nitroquinolin-6-amine
PubChem CID43803919
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2-methylcyclohexyl)-5-nitroquinolin-6-amine
SMILESCC1CCCCC1Nc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C16H19N3O2/c1-11-5-2-3-7-13(11)18-15-9-8-14-12(6-4-10-17-14)16(15)19(20)21/h4,6,8-11,13,18H,2-3,5,7H2,1H3
InChIKeySXCFRLBPFGDWID-UHFFFAOYSA-N
XLogP4.13
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)quinolin-6-amine
CID 79360124
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
N-[(3S)-1-methylsulfonylpiperidin-3-yl]-5-nitroquinolin-6-amine
CID 52505239
N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine
CID 61366971
5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine
CID 62540611
5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine
CID 104972848
2-ethyl-2-[(5-nitroquinolin-6-yl)amino]butan-1-ol
CID 62519561
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine
CID 56584812
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
[1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol
CID 62519209
5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
CID 60970060
5-nitro-N-(oxolan-3-ylmethyl)quinolin-6-amine
CID 47280331

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine?
The IUPAC name of N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine (CID 43803919) is N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine.
What is the SMILES notation for N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine?
The canonical SMILES for N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine is CC1CCCCC1Nc1ccc2ncccc2c1[N+](=O)[O-].
What is the InChIKey of N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine?
The InChIKey is SXCFRLBPFGDWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-5-2-3-7-13(11)18-15-9-8-14-12(6-4-10-17-14)16(15)19(20)21/h4,6,8-11,13,18H,2-3,5,7H2,1H3.
What are the key properties of N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine?
N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine has a molecular weight of 285.35 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-5-nitroquinolin-6-amine is sourced from PubChem (CID 43803919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).