N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide

C21H18N4O4 — CID 35069219

IUPACN'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide
SMILESO=C(CCN1C(=O)COc2ccccc21)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C21H18N4O4/c26-19(11-12-25-17-7-3-4-8-18(17)29-13-20(25)27)23-24-21(28)16-10-9-14-5-1-2-6-15(14)22-16/h1-10H,11-13H2,(H,23,26)(H,24,28)
InChIKeyRRSRKHJRHMIUAY-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.81
Rot. Bonds4

About N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide

N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide (PubChem CID 35069219) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide
PubChem CID35069219
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC NameN'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide
SMILESO=C(CCN1C(=O)COc2ccccc21)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C21H18N4O4/c26-19(11-12-25-17-7-3-4-8-18(17)29-13-20(25)27)23-24-21(28)16-10-9-14-5-1-2-6-15(14)22-16/h1-10H,11-13H2,(H,23,26)(H,24,28)
InChIKeyRRSRKHJRHMIUAY-UHFFFAOYSA-N
XLogP1.81
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-3-phenylthiourea
CID 24644106
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 40716730
N-(3-methylbutan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46651113
3-(3-oxo-1,4-benzoxazin-4-yl)-N'-[2-(trifluoromethyl)phenyl]propanehydrazide
CID 55386609
1-(3-methylbutyl)-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]thiourea
CID 9150470
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46692780
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 55636454
N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837203
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 6938465
2,2-dimethyl-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoic acid
CID 119249168
N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 24513496

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide (CID 35069219) is N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide is O=C(CCN1C(=O)COc2ccccc21)NNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide?
The InChIKey is RRSRKHJRHMIUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c26-19(11-12-25-17-7-3-4-8-18(17)29-13-20(25)27)23-24-21(28)16-10-9-14-5-1-2-6-15(14)22-16/h1-10H,11-13H2,(H,23,26)(H,24,28).
What are the key properties of N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide?
N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide has a molecular weight of 390.40 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 35069219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).