3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide

C17H18N4O3 — CID 166235775

IUPAC3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCO1)c1nc2ccccc2nc1C1CC1
InChIInChI=1S/C17H18N4O3/c22-16(13-6-3-9-24-13)20-21-17(23)15-14(10-7-8-10)18-11-4-1-2-5-12(11)19-15/h1-2,4-5,10,13H,3,6-9H2,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyXYVVKYJNGREQHY-ZDUSSCGKSA-N
MW326.36 g/mol
LogP1.45
Rot. Bonds3

About 3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide

3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide (PubChem CID 166235775) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide.

Molecular Properties

Compound Name3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide
PubChem CID166235775
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCO1)c1nc2ccccc2nc1C1CC1
InChIInChI=1S/C17H18N4O3/c22-16(13-6-3-9-24-13)20-21-17(23)15-14(10-7-8-10)18-11-4-1-2-5-12(11)19-15/h1-2,4-5,10,13H,3,6-9H2,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyXYVVKYJNGREQHY-ZDUSSCGKSA-N
XLogP1.45
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-oxolane-2-carbonyl]pyridine-2-carbohydrazide
CID 7405767
N'-[(2S)-oxolane-2-carbonyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 39479957
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
N'-(2-methylbenzoyl)oxolane-2-carbohydrazide
CID 51164592
2-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]-1,3-thiazole-4-carbohydrazide
CID 166201928
2-(4-methylphenyl)-N'-(oxolane-2-carbonyl)quinoline-4-carbohydrazide
CID 43005524
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide
CID 42905169
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
2-(4-fluorophenyl)-N'-[(2R)-oxolane-2-carbonyl]quinoline-4-carbohydrazide
CID 51922809
(2S)-N'-(2-methoxybenzoyl)oxolane-2-carbohydrazide
CID 748723
N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 3128422
(2S)-N'-(3-fluorobenzoyl)oxolane-2-carbohydrazide
CID 772334

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide?
The IUPAC name of 3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide (CID 166235775) is 3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide.
What is the SMILES notation for 3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide?
The canonical SMILES for 3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide is O=C(NNC(=O)[C@@H]1CCCO1)c1nc2ccccc2nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide?
The InChIKey is XYVVKYJNGREQHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-16(13-6-3-9-24-13)20-21-17(23)15-14(10-7-8-10)18-11-4-1-2-5-12(11)19-15/h1-2,4-5,10,13H,3,6-9H2,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of 3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide?
3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide has a molecular weight of 326.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N'-[(2S)-oxolane-2-carbonyl]quinoxaline-2-carbohydrazide is sourced from PubChem (CID 166235775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).