N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide

C19H19N3O4S — CID 3208036

IUPACN'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCCc1cc2cc(OC)ccc2nc1SCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C19H19N3O4S/c1-3-12-9-13-10-14(25-2)6-7-15(13)20-19(12)27-11-17(23)21-22-18(24)16-5-4-8-26-16/h4-10H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGVNSGZZWKAVSKI-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.95
Rot. Bonds6

About N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide

N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide (PubChem CID 3208036) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
PubChem CID3208036
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide
SMILESCCc1cc2cc(OC)ccc2nc1SCC(=O)NNC(=O)c1ccco1
InChIInChI=1S/C19H19N3O4S/c1-3-12-9-13-10-14(25-2)6-7-15(13)20-19(12)27-11-17(23)21-22-18(24)16-5-4-8-26-16/h4-10H,3,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGVNSGZZWKAVSKI-UHFFFAOYSA-N
XLogP2.95
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide (CID 3208036) is N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide is CCc1cc2cc(OC)ccc2nc1SCC(=O)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
The InChIKey is GVNSGZZWKAVSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-12-9-13-10-14(25-2)6-7-15(13)20-19(12)27-11-17(23)21-22-18(24)16-5-4-8-26-16/h4-10H,3,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide?
N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide has a molecular weight of 385.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetyl]furan-2-carbohydrazide is sourced from PubChem (CID 3208036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).