N-cycloheptyl-8-nitroquinolin-5-amine

C16H19N3O2 — CID 43386323

IUPACN-cycloheptyl-8-nitroquinolin-5-amine
SMILESO=[N+]([O-])c1ccc(NC2CCCCCC2)c2cccnc12
InChIInChI=1S/C16H19N3O2/c20-19(21)15-10-9-14(13-8-5-11-17-16(13)15)18-12-6-3-1-2-4-7-12/h5,8-12,18H,1-4,6-7H2
InChIKeyAJJQOHUJJAIUFO-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.28
Rot. Bonds3

About N-cycloheptyl-8-nitroquinolin-5-amine

N-cycloheptyl-8-nitroquinolin-5-amine (PubChem CID 43386323) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-cycloheptyl-8-nitroquinolin-5-amine.

Molecular Properties

Compound NameN-cycloheptyl-8-nitroquinolin-5-amine
PubChem CID43386323
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-cycloheptyl-8-nitroquinolin-5-amine
SMILESO=[N+]([O-])c1ccc(NC2CCCCCC2)c2cccnc12
InChIInChI=1S/C16H19N3O2/c20-19(21)15-10-9-14(13-8-5-11-17-16(13)15)18-12-6-3-1-2-4-7-12/h5,8-12,18H,1-4,6-7H2
InChIKeyAJJQOHUJJAIUFO-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
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

2-[(8-nitroquinolin-5-yl)amino]cyclohexan-1-ol
CID 62359986
N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one
CID 62091958
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
N-(3-azabicyclo[3.1.0]hexan-6-yl)-8-nitroquinolin-5-amine
CID 43599066
8-nitro-N-propan-2-ylquinolin-5-amine
CID 43449523
N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine
CID 133399168
N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine
CID 31655000
N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
CID 31539522
8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
CID 104973546
N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-nitroquinolin-8-amine
CID 133348605
3-[(8-nitroquinolin-5-yl)amino]propanoic acid
CID 43449368

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-8-nitroquinolin-5-amine?
The IUPAC name of N-cycloheptyl-8-nitroquinolin-5-amine (CID 43386323) is N-cycloheptyl-8-nitroquinolin-5-amine.
What is the SMILES notation for N-cycloheptyl-8-nitroquinolin-5-amine?
The canonical SMILES for N-cycloheptyl-8-nitroquinolin-5-amine is O=[N+]([O-])c1ccc(NC2CCCCCC2)c2cccnc12.
What is the InChIKey of N-cycloheptyl-8-nitroquinolin-5-amine?
The InChIKey is AJJQOHUJJAIUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-19(21)15-10-9-14(13-8-5-11-17-16(13)15)18-12-6-3-1-2-4-7-12/h5,8-12,18H,1-4,6-7H2.
What are the key properties of N-cycloheptyl-8-nitroquinolin-5-amine?
N-cycloheptyl-8-nitroquinolin-5-amine has a molecular weight of 285.35 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-8-nitroquinolin-5-amine is sourced from PubChem (CID 43386323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).