4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one

C20H16N2O3 — CID 135638614

IUPAC4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1/C=N/CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H16N2O3/c23-19-15-6-2-4-8-18(15)25-20(24)16(19)12-21-10-9-13-11-22-17-7-3-1-5-14(13)17/h1-8,11-12,22-23H,9-10H2/b21-12+
InChIKeyXZPPOSVHWZYRKM-CIAFOILYSA-N
MW332.36 g/mol
LogP3.64
Rot. Bonds4

About 4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one

4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one (PubChem CID 135638614) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one
PubChem CID135638614
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1/C=N/CCc1c[nH]c2ccccc12
InChIInChI=1S/C20H16N2O3/c23-19-15-6-2-4-8-18(15)25-20(24)16(19)12-21-10-9-13-11-22-17-7-3-1-5-14(13)17/h1-8,11-12,22-23H,9-10H2/b21-12+
InChIKeyXZPPOSVHWZYRKM-CIAFOILYSA-N
XLogP3.64
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-hydroxy-2-oxochromen-3-yl)methylideneamino]-3-(1H-indol-3-yl)propanoic acid
CID 135531203
1,3-diethyl-6-hydroxy-5-[2-(1H-indol-3-yl)ethyliminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 4657988
3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol
CID 136935313
2-[2-(5-hydroxy-1H-indol-3-yl)ethyliminomethyl]benzene-1,3-diol
CID 135581382
3-[(4-fluorophenyl)iminomethyl]-4-hydroxychromen-2-one
CID 135437457
6-hydroxy-5-[2-(1H-indol-3-yl)ethyliminomethyl]-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 171982490
N-[2-(1H-indol-3-yl)ethyl]-3-phenylpropan-1-imine
CID 10826340
1-cyclopenta-2,4-dien-1-yl-N-[2-(1H-indol-3-yl)ethyl]methanimine
CID 24893865
3-[(3,5-dimethylphenyl)iminomethyl]-4-hydroxychromen-2-one
CID 135460522
3-(4-hydroxy-2-oxochromen-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 91973680
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one?
The IUPAC name of 4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one (CID 135638614) is 4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one?
The canonical SMILES for 4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one is O=c1oc2ccccc2c(O)c1/C=N/CCc1c[nH]c2ccccc12.
What is the InChIKey of 4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one?
The InChIKey is XZPPOSVHWZYRKM-CIAFOILYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-19-15-6-2-4-8-18(15)25-20(24)16(19)12-21-10-9-13-11-22-17-7-3-1-5-14(13)17/h1-8,11-12,22-23H,9-10H2/b21-12+.
What are the key properties of 4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one?
4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one has a molecular weight of 332.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[2-(1H-indol-3-yl)ethyliminomethyl]chromen-2-one is sourced from PubChem (CID 135638614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).