N-(4-nitrophenyl)sulfanylquinolin-8-amine

C15H11N3O2S — CID 142610178

IUPACN-(4-nitrophenyl)sulfanylquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(SNc2cccc3cccnc23)cc1
InChIInChI=1S/C15H11N3O2S/c19-18(20)12-6-8-13(9-7-12)21-17-14-5-1-3-11-4-2-10-16-15(11)14/h1-10,17H
InChIKeyJWBLBCBUQPQCHQ-UHFFFAOYSA-N
MW297.34 g/mol
LogP4.26
Rot. Bonds4

About N-(4-nitrophenyl)sulfanylquinolin-8-amine

N-(4-nitrophenyl)sulfanylquinolin-8-amine (PubChem CID 142610178) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(4-nitrophenyl)sulfanylquinolin-8-amine.

Molecular Properties

Compound NameN-(4-nitrophenyl)sulfanylquinolin-8-amine
PubChem CID142610178
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC NameN-(4-nitrophenyl)sulfanylquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(SNc2cccc3cccnc23)cc1
InChIInChI=1S/C15H11N3O2S/c19-18(20)12-6-8-13(9-7-12)21-17-14-5-1-3-11-4-2-10-16-15(11)14/h1-10,17H
InChIKeyJWBLBCBUQPQCHQ-UHFFFAOYSA-N
XLogP4.26
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 54.26
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-phenylsulfanylquinolin-8-amine
CID 123285595
copper;bis(1,10-phenanthroline);dinitrate;hydrate
CID 15478309
N-[[6-(difluoromethyl)-3-pyridinyl]sulfanyl]quinolin-8-amine
CID 164876762
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
copper bis((4-nitrophenyl)sulfonyl-quinolin-8-ylazanide)
CID 139069114
N-[(6-cyclopropyl-3-pyridinyl)sulfanyl]quinolin-8-amine
CID 164876948
5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 166208269
N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]quinolin-8-amine
CID 40532923
6,8-dinitroquinoline
CID 11106850
2-nitro-N-quinolin-8-ylacetamide
CID 108814489
bis(cyano-(4-nitrophenyl)azanide);methanol;nickel(2+);bis(1,10-phenanthroline)
CID 139083288
N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide
CID 58174439

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)sulfanylquinolin-8-amine?
The IUPAC name of N-(4-nitrophenyl)sulfanylquinolin-8-amine (CID 142610178) is N-(4-nitrophenyl)sulfanylquinolin-8-amine.
What is the SMILES notation for N-(4-nitrophenyl)sulfanylquinolin-8-amine?
The canonical SMILES for N-(4-nitrophenyl)sulfanylquinolin-8-amine is O=[N+]([O-])c1ccc(SNc2cccc3cccnc23)cc1.
What is the InChIKey of N-(4-nitrophenyl)sulfanylquinolin-8-amine?
The InChIKey is JWBLBCBUQPQCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-18(20)12-6-8-13(9-7-12)21-17-14-5-1-3-11-4-2-10-16-15(11)14/h1-10,17H.
What are the key properties of N-(4-nitrophenyl)sulfanylquinolin-8-amine?
N-(4-nitrophenyl)sulfanylquinolin-8-amine has a molecular weight of 297.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)sulfanylquinolin-8-amine is sourced from PubChem (CID 142610178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).