N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine

C16H16N6O3S — CID 71368434

IUPACN-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine
SMILESCOCCCNc1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c2cccnc12
InChIInChI=1S/C16H16N6O3S/c1-25-9-3-8-17-13-6-5-12(11-4-2-7-18-15(11)13)20-21-16-19-10-14(26-16)22(23)24/h2,4-7,10,17H,3,8-9H2,1H3/b21-20+
InChIKeyKEKFSYCFVPYHKW-QZQOTICOSA-N
MW372.41 g/mol
LogP4.46
Rot. Bonds8

About N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine

N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine (PubChem CID 71368434) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine
PubChem CID71368434
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine
SMILESCOCCCNc1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c2cccnc12
InChIInChI=1S/C16H16N6O3S/c1-25-9-3-8-17-13-6-5-12(11-4-2-7-18-15(11)13)20-21-16-19-10-14(26-16)22(23)24/h2,4-7,10,17H,3,8-9H2,1H3/b21-20+
InChIKeyKEKFSYCFVPYHKW-QZQOTICOSA-N
XLogP4.46
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine?
The IUPAC name of N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine (CID 71368434) is N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine.
What is the SMILES notation for N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine?
The canonical SMILES for N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine is COCCCNc1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c2cccnc12.
What is the InChIKey of N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine?
The InChIKey is KEKFSYCFVPYHKW-QZQOTICOSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-25-9-3-8-17-13-6-5-12(11-4-2-7-18-15(11)13)20-21-16-19-10-14(26-16)22(23)24/h2,4-7,10,17H,3,8-9H2,1H3/b21-20+.
What are the key properties of N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine?
N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine has a molecular weight of 372.41 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-[(5-nitro-1,3-thiazol-2-yl)diazenyl]quinolin-8-amine is sourced from PubChem (CID 71368434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).