3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one

C17H10ClN3O — CID 162818774

IUPAC3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1nnc2ccccc2c1Cl
InChIInChI=1S/C17H10ClN3O/c18-16-11-6-2-4-8-14(11)20-21-15(16)9-12-10-5-1-3-7-13(10)19-17(12)22/h1-9H,(H,19,22)
InChIKeyRLCINGHMDIMVMQ-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.78
Rot. Bonds1

About 3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one

3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one (PubChem CID 162818774) has the molecular formula C17H10ClN3O and a molecular weight of 307.74 g/mol. Its IUPAC name is 3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one
PubChem CID162818774
Molecular FormulaC17H10ClN3O
Molecular Weight307.74 g/mol
Exact Mass307.05
IUPAC Name3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1nnc2ccccc2c1Cl
InChIInChI=1S/C17H10ClN3O/c18-16-11-6-2-4-8-14(11)20-21-15(16)9-12-10-5-1-3-7-13(10)19-17(12)22/h1-9H,(H,19,22)
InChIKeyRLCINGHMDIMVMQ-UHFFFAOYSA-N
XLogP3.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
3-[[2-chloro-4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 2741418
3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one
CID 78015919
3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
CID 2893143
3-(azulen-1-ylmethylidene)-1H-indol-2-one
CID 57390079
(3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one
CID 137292411
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858
CID 57369962
CID 57369962
3-[(6-hydroxyquinolin-5-yl)methylidene]-1H-indol-2-one
CID 70211988
(3E)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CID 6419833
3-(4-bromophenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
CID 135757484

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one (CID 162818774) is 3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=Cc1nnc2ccccc2c1Cl.
What is the InChIKey of 3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one?
The InChIKey is RLCINGHMDIMVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O/c18-16-11-6-2-4-8-14(11)20-21-15(16)9-12-10-5-1-3-7-13(10)19-17(12)22/h1-9H,(H,19,22).
What are the key properties of 3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one?
3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one has a molecular weight of 307.74 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorocinnolin-3-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 162818774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).