4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one

C19H17NO3 — CID 6215321

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one
SMILESCc1c(O)ccc2c(CN3CCc4ccccc43)cc(=O)oc12
InChIInChI=1S/C19H17NO3/c1-12-17(21)7-6-15-14(10-18(22)23-19(12)15)11-20-9-8-13-4-2-3-5-16(13)20/h2-7,10,21H,8-9,11H2,1H3
InChIKeyLMYKNPQCRZZIHZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.37
Rot. Bonds2

About 4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one

4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one (PubChem CID 6215321) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one
PubChem CID6215321
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one
SMILESCc1c(O)ccc2c(CN3CCc4ccccc43)cc(=O)oc12
InChIInChI=1S/C19H17NO3/c1-12-17(21)7-6-15-14(10-18(22)23-19(12)15)11-20-9-8-13-4-2-3-5-16(13)20/h2-7,10,21H,8-9,11H2,1H3
InChIKeyLMYKNPQCRZZIHZ-UHFFFAOYSA-N
XLogP3.37
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]isoindole-1,3-dione
CID 18421403
4-[(4-benzyl-1,4-diazepan-1-yl)methyl]-7-hydroxy-8-methylchromen-2-one
CID 31270944
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-7,8-dimethylchromen-2-one
CID 2099268
7-hydroxy-8-methyl-4-[(2-methylphenyl)sulfanylmethyl]chromen-2-one
CID 52728159
4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-7-hydroxy-8-methylchromen-2-one
CID 11940440
4-(4H-3,1-benzothiazin-2-ylsulfanylmethyl)-7-hydroxy-8-methylchromen-2-one
CID 55424966
7-hydroxy-8-methyl-4-(piperidin-1-ium-1-ylmethyl)chromen-2-one
CID 7198646
N,N-diethyl-4-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]piperazine-1-sulfonamide
CID 55498462
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(2R)-2-phenylpropyl]azanium
CID 9264124
7-hydroxy-8-methyl-4-[[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methyl]chromen-2-one
CID 94819631
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one
CID 41180251
4-[[cyclohexyl(methyl)amino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 27134592

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one (CID 6215321) is 4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one is Cc1c(O)ccc2c(CN3CCc4ccccc43)cc(=O)oc12.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one?
The InChIKey is LMYKNPQCRZZIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12-17(21)7-6-15-14(10-18(22)23-19(12)15)11-20-9-8-13-4-2-3-5-16(13)20/h2-7,10,21H,8-9,11H2,1H3.
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one?
4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one has a molecular weight of 307.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylmethyl)-7-hydroxy-8-methylchromen-2-one is sourced from PubChem (CID 6215321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).