(3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one

C18H10BrNO3 — CID 118707372

IUPAC(3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1coc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H10BrNO3/c19-11-5-6-16-14(8-11)17(21)10(9-23-16)7-13-12-3-1-2-4-15(12)20-18(13)22/h1-9H,(H,20,22)/b13-7-
InChIKeyACIVDDKOOVHSGS-QPEQYQDCSA-N
MW368.19 g/mol
LogP4.05
Rot. Bonds1

About (3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one

(3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one (PubChem CID 118707372) has the molecular formula C18H10BrNO3 and a molecular weight of 368.19 g/mol. Its IUPAC name is (3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one
PubChem CID118707372
Molecular FormulaC18H10BrNO3
Molecular Weight368.19 g/mol
Exact Mass366.98
IUPAC Name(3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1coc2ccc(Br)cc2c1=O
InChIInChI=1S/C18H10BrNO3/c19-11-5-6-16-14(8-11)17(21)10(9-23-16)7-13-12-3-1-2-4-15(12)20-18(13)22/h1-9H,(H,20,22)/b13-7-
InChIKeyACIVDDKOOVHSGS-QPEQYQDCSA-N
XLogP4.05
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 54.05
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

3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
Benzofurane-7-carboxamide, 2,3-dihydro-5-bromo-N-(3-trifluoromethylphenyl)-
CID 614539
N-(4-bromophenyl)-2-methoxybenzamide
CID 531916
N-(4-bromo-2-methylphenyl)-2-methoxybenzamide
CID 873426
5-bromo-2-methoxy-3-methyl-N-(2-methylphenyl)benzamide
CID 953794
N-(4-Bromophenyl)-4-oxo-4H-chromene-3-carboxamide
CID 139087191
N-(3-bromophenyl)-4-oxochromene-3-carboxamide
CID 139087386
N-(2-bromophenyl)-4-oxochromene-3-carboxamide
CID 155568351
N-{4-[3-(5-bromo-2-methoxyphenyl)acryloyl]phenyl}acetamide
CID 5738109
5-Bromo-N-(3-methylphenyl)-2-[(phenylmethyl)oxy]benzamide
CID 51356954
5-Bromo-N-(3-fluorophenyl)-2-[(phenylmethyl)oxy]benzamide
CID 69936228
5-Bromo-N-[3-(methyloxy)phenyl]-2-[(phenylmethyl)oxy]benzamide
CID 69936275

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one (CID 118707372) is (3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1coc2ccc(Br)cc2c1=O.
What is the InChIKey of (3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one?
The InChIKey is ACIVDDKOOVHSGS-QPEQYQDCSA-N. The full InChI is InChI=1S/C18H10BrNO3/c19-11-5-6-16-14(8-11)17(21)10(9-23-16)7-13-12-3-1-2-4-15(12)20-18(13)22/h1-9H,(H,20,22)/b13-7-.
What are the key properties of (3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one?
(3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one has a molecular weight of 368.19 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(6-bromo-4-oxochromen-3-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 118707372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).