N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide

C19H15N3O5 — CID 9350571

IUPACN'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H15N3O5/c23-17-10-13(12-3-1-2-4-14(12)20-17)19(25)22-21-18(24)11-5-6-15-16(9-11)27-8-7-26-15/h1-6,9-10H,7-8H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyVFWHKBDFERGVQU-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.37
Rot. Bonds2

About N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide

N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide (PubChem CID 9350571) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide
PubChem CID9350571
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide
SMILESO=C(NNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H15N3O5/c23-17-10-13(12-3-1-2-4-14(12)20-17)19(25)22-21-18(24)11-5-6-15-16(9-11)27-8-7-26-15/h1-6,9-10H,7-8H2,(H,20,23)(H,21,24)(H,22,25)
InChIKeyVFWHKBDFERGVQU-UHFFFAOYSA-N
XLogP1.37
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.37
H-Bond Donors ≤ 53
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-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27761173
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2389396
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N'-[2-(trifluoromethylsulfanyl)benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51113818
N'-(3,5-difluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275269
N'-(furan-2-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9477205
N'-(4-bromo-2-fluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275432
N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 8840546
N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3547940
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
CID 6490722

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide (CID 9350571) is N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide is O=C(NNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc2c(c1)OCCO2.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide?
The InChIKey is VFWHKBDFERGVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c23-17-10-13(12-3-1-2-4-14(12)20-17)19(25)22-21-18(24)11-5-6-15-16(9-11)27-8-7-26-15/h1-6,9-10H,7-8H2,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide?
N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide has a molecular weight of 365.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-oxo-1H-quinoline-4-carbohydrazide is sourced from PubChem (CID 9350571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).