4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate

C19H14FN4O5- — CID 7454264

IUPAC4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate
SMILESCOc1cc(/C=N\NC(=O)c2cc3cc(F)ccc3nc2C)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C19H15FN4O5/c1-10-14(8-12-7-13(20)3-4-15(12)22-10)19(26)23-21-9-11-5-16(24(27)28)18(25)17(6-11)29-2/h3-9,25H,1-2H3,(H,23,26)/p-1/b21-9-
InChIKeyAWHRYLZWFVRBGS-NKVSQWTQSA-M
MW397.34 g/mol
LogP2.44
Rot. Bonds5

About 4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate

4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate (PubChem CID 7454264) has the molecular formula C19H14FN4O5- and a molecular weight of 397.34 g/mol. Its IUPAC name is 4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate.

Molecular Properties

Compound Name4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate
PubChem CID7454264
Molecular FormulaC19H14FN4O5-
Molecular Weight397.34 g/mol
Exact Mass397.10
IUPAC Name4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate
SMILESCOc1cc(/C=N\NC(=O)c2cc3cc(F)ccc3nc2C)cc([N+](=O)[O-])c1[O-]
InChIInChI=1S/C19H15FN4O5/c1-10-14(8-12-7-13(20)3-4-15(12)22-10)19(26)23-21-9-11-5-16(24(27)28)18(25)17(6-11)29-2/h3-9,25H,1-2H3,(H,23,26)/p-1/b21-9-
InChIKeyAWHRYLZWFVRBGS-NKVSQWTQSA-M
XLogP2.44
TPSA129.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate?
The IUPAC name of 4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate (CID 7454264) is 4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate.
What is the SMILES notation for 4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate?
The canonical SMILES for 4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate is COc1cc(/C=N\NC(=O)c2cc3cc(F)ccc3nc2C)cc([N+](=O)[O-])c1[O-].
What is the InChIKey of 4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate?
The InChIKey is AWHRYLZWFVRBGS-NKVSQWTQSA-M. The full InChI is InChI=1S/C19H15FN4O5/c1-10-14(8-12-7-13(20)3-4-15(12)22-10)19(26)23-21-9-11-5-16(24(27)28)18(25)17(6-11)29-2/h3-9,25H,1-2H3,(H,23,26)/p-1/b21-9-.
What are the key properties of 4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate?
4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate has a molecular weight of 397.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(6-fluoro-2-methylquinoline-3-carbonyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate is sourced from PubChem (CID 7454264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).