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

C15H17N3O2S — CID 103704192

IUPACN-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine
SMILESCSC1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)C1
InChIInChI=1S/C15H17N3O2S/c1-21-11-5-4-10(9-11)17-13-6-7-14(18(19)20)12-3-2-8-16-15(12)13/h2-3,6-8,10-11,17H,4-5,9H2,1H3
InChIKeyQSQIKCQVBLPMBG-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.84
Rot. Bonds4

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

N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine (PubChem CID 103704192) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine
PubChem CID103704192
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine
SMILESCSC1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)C1
InChIInChI=1S/C15H17N3O2S/c1-21-11-5-4-10(9-11)17-13-6-7-14(18(19)20)12-3-2-8-16-15(12)13/h2-3,6-8,10-11,17H,4-5,9H2,1H3
InChIKeyQSQIKCQVBLPMBG-UHFFFAOYSA-N
XLogP3.84
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.84
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-methoxycyclohexyl)-5-nitroquinolin-8-amine
CID 133399168
N-(3-ethylsulfinylcyclohexyl)-5-nitroquinolin-8-amine
CID 133338025
N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine
CID 31655000
4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 46238574
N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-nitroquinolin-8-amine
CID 133348605
1-cyclopropyl-4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 133357470
N-(3-methylsulfanylcyclohexyl)-2-nitroaniline
CID 113237756
N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine
CID 60723743
5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine
CID 133439270
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
N-(2-methylsulfanylpropyl)-5-nitroquinolin-8-amine
CID 115886152

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine?
The IUPAC name of N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine (CID 103704192) is N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine?
The canonical SMILES for N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine is CSC1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)C1.
What is the InChIKey of N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine?
The InChIKey is QSQIKCQVBLPMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-21-11-5-4-10(9-11)17-13-6-7-14(18(19)20)12-3-2-8-16-15(12)13/h2-3,6-8,10-11,17H,4-5,9H2,1H3.
What are the key properties of N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine?
N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine has a molecular weight of 303.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine is sourced from PubChem (CID 103704192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).