7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one

C21H17NO4 — CID 40612955

IUPAC7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O[C@H](C)C(=O)c3c[nH]c4ccccc34)ccc12
InChIInChI=1S/C21H17NO4/c1-12-9-20(23)26-19-10-14(7-8-15(12)19)25-13(2)21(24)17-11-22-18-6-4-3-5-16(17)18/h3-11,13,22H,1-2H3/t13-/m1/s1
InChIKeyYSILZAYCOMKFEO-CYBMUJFWSA-N
MW347.37 g/mol
LogP4.23
Rot. Bonds4

About 7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one

7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one (PubChem CID 40612955) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
PubChem CID40612955
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O[C@H](C)C(=O)c3c[nH]c4ccccc34)ccc12
InChIInChI=1S/C21H17NO4/c1-12-9-20(23)26-19-10-14(7-8-15(12)19)25-13(2)21(24)17-11-22-18-6-4-3-5-16(17)18/h3-11,13,22H,1-2H3/t13-/m1/s1
InChIKeyYSILZAYCOMKFEO-CYBMUJFWSA-N
XLogP4.23
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxychromen-2-one
CID 7564295
[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2450529
(2S)-3-(1H-indol-3-yl)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoate
CID 6973028
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
7-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967902
4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide
CID 7931301
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
CID 64866959
7-benzhydryloxy-4-methylchromen-2-one
CID 59603173
N'-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]-2-oxo-1H-pyridine-3-carbohydrazide
CID 45281360
7-[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967871
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 855004
2-methylpropyl 2-(4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 23883278

Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
The IUPAC name of 7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one (CID 40612955) is 7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one.
What is the SMILES notation for 7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
The canonical SMILES for 7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one is Cc1cc(=O)oc2cc(O[C@H](C)C(=O)c3c[nH]c4ccccc34)ccc12.
What is the InChIKey of 7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
The InChIKey is YSILZAYCOMKFEO-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H17NO4/c1-12-9-20(23)26-19-10-14(7-8-15(12)19)25-13(2)21(24)17-11-22-18-6-4-3-5-16(17)18/h3-11,13,22H,1-2H3/t13-/m1/s1.
What are the key properties of 7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one?
7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one has a molecular weight of 347.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one is sourced from PubChem (CID 40612955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).