2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide

C18H13FN4O2 — CID 139229899

IUPAC2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide
SMILESNNC(=O)c1c2c(nc3ccccc13)-c1cc(F)ccc1NC(=O)C2
InChIInChI=1S/C18H13FN4O2/c19-9-5-6-14-11(7-9)17-12(8-15(24)21-14)16(18(25)23-20)10-3-1-2-4-13(10)22-17/h1-7H,8,20H2,(H,21,24)(H,23,25)
InChIKeyJIPAGLHYNFRIHD-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.14
Rot. Bonds1

About 2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide

2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide (PubChem CID 139229899) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide.

Molecular Properties

Compound Name2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide
PubChem CID139229899
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide
SMILESNNC(=O)c1c2c(nc3ccccc13)-c1cc(F)ccc1NC(=O)C2
InChIInChI=1S/C18H13FN4O2/c19-9-5-6-14-11(7-9)17-12(8-15(24)21-14)16(18(25)23-20)10-3-1-2-4-13(10)22-17/h1-7H,8,20H2,(H,21,24)(H,23,25)
InChIKeyJIPAGLHYNFRIHD-UHFFFAOYSA-N
XLogP2.14
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-11H-indeno[1,2-b]quinoline-10-carboxylic acid
CID 116531149
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N',N'-diethyl-N-(2-fluoro-11H-indeno[1,2-b]quinolin-10-yl)ethane-1,2-diamine
CID 45051287
N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 9247827
N-benzyl-5,6-dihydrobenzo[c]acridine-7-carboxamide
CID 1124668
(4E)-2-benzyl-4-[(4-fluorophenyl)methylidene]-1,3-dihydrobenzo[b][1,6]naphthyridine-10-carboxylic acid
CID 6154754
9-fluoro-12-prop-1-en-2-yl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one
CID 11208967
2,4-dimethylquinoline-3-carbohydrazide
CID 3811999
anthracene-9,10-dicarbohydrazide
CID 139611931
6-fluoroquinoline-3-carbohydrazide
CID 119026646
2-amino-N-[2-(4-fluorophenyl)ethyl]quinazoline-4-carboxamide
CID 68506824
[2-(2,4-difluorophenyl)quinazolin-4-yl]hydrazine
CID 62241786

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide?
The IUPAC name of 2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide (CID 139229899) is 2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide.
What is the SMILES notation for 2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide?
The canonical SMILES for 2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide is NNC(=O)c1c2c(nc3ccccc13)-c1cc(F)ccc1NC(=O)C2.
What is the InChIKey of 2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide?
The InChIKey is JIPAGLHYNFRIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c19-9-5-6-14-11(7-9)17-12(8-15(24)21-14)16(18(25)23-20)10-3-1-2-4-13(10)22-17/h1-7H,8,20H2,(H,21,24)(H,23,25).
What are the key properties of 2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide?
2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide has a molecular weight of 336.33 g/mol, XLogP of 2.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-oxo-5,7-dihydroquinolino[3,2-d][1]benzazepine-8-carbohydrazide is sourced from PubChem (CID 139229899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).