N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine

C16H19N3O2S — CID 133378444

IUPACN-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine
SMILESCCSC1CCCC1Nc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C16H19N3O2S/c1-2-22-15-5-3-4-14(15)18-16-9-6-11-10-12(19(20)21)7-8-13(11)17-16/h6-10,14-15H,2-5H2,1H3,(H,17,18)
InChIKeyRWYYWBRVAIDQRT-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.23
Rot. Bonds5

About N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine

N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine (PubChem CID 133378444) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine
PubChem CID133378444
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine
SMILESCCSC1CCCC1Nc1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C16H19N3O2S/c1-2-22-15-5-3-4-14(15)18-16-9-6-11-10-12(19(20)21)7-8-13(11)17-16/h6-10,14-15H,2-5H2,1H3,(H,17,18)
InChIKeyRWYYWBRVAIDQRT-UHFFFAOYSA-N
XLogP4.23
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.23
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

6-nitro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)quinolin-2-amine
CID 80611490
N-[(2-methylcyclopentyl)methyl]-6-nitroquinolin-2-amine
CID 107419321
N-[(4S)-4-methoxypyrrolidin-3-yl]-6-nitroquinolin-2-amine
CID 43598911
6-nitro-N-propylquinolin-2-amine
CID 43450859
2-N-ethyl-6-N-(2-ethylsulfanylcyclopentyl)pyridine-2,6-diamine
CID 114122162
methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate
CID 133492487
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
CID 113485576
1-[[(6-nitroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
CID 115669126
N-(3-methylpentan-2-yl)-6-nitroquinolin-2-amine
CID 61463580
4-N-(2-ethylsulfanylcyclopentyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 103725102
N-(3-ethylpentan-2-yl)-6-nitroquinolin-2-amine
CID 63839044

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine (CID 133378444) is N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine is CCSC1CCCC1Nc1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine?
The InChIKey is RWYYWBRVAIDQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-22-15-5-3-4-14(15)18-16-9-6-11-10-12(19(20)21)7-8-13(11)17-16/h6-10,14-15H,2-5H2,1H3,(H,17,18).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine?
N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine has a molecular weight of 317.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-6-nitroquinolin-2-amine is sourced from PubChem (CID 133378444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).