6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one

C17H12ClFN2O2 — CID 135712882

IUPAC6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one
SMILESC/C(=N\O)c1c(-c2ccccc2F)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H12ClFN2O2/c1-9(21-23)15-16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)20-17(15)22/h2-8,23H,1H3,(H,20,22)/b21-9+
InChIKeyPLBCQBUZKJTOHI-ZVBGSRNCSA-N
MW330.75 g/mol
LogP4.19
Rot. Bonds2

About 6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one

6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one (PubChem CID 135712882) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is 6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one
PubChem CID135712882
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC Name6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one
SMILESC/C(=N\O)c1c(-c2ccccc2F)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H12ClFN2O2/c1-9(21-23)15-16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)20-17(15)22/h2-8,23H,1H3,(H,20,22)/b21-9+
InChIKeyPLBCQBUZKJTOHI-ZVBGSRNCSA-N
XLogP4.19
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one?
The IUPAC name of 6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one (CID 135712882) is 6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one is C/C(=N\O)c1c(-c2ccccc2F)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one?
The InChIKey is PLBCQBUZKJTOHI-ZVBGSRNCSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c1-9(21-23)15-16(11-4-2-3-5-13(11)19)12-8-10(18)6-7-14(12)20-17(15)22/h2-8,23H,1H3,(H,20,22)/b21-9+.
What are the key properties of 6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one?
6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one has a molecular weight of 330.75 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-fluorophenyl)-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1H-quinolin-2-one is sourced from PubChem (CID 135712882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).