[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone

C20H22N2O3 — CID 136545301

IUPAC[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1N1CCOCC1)N1CC(CO)c2ccccc21
InChIInChI=1S/C20H22N2O3/c23-14-15-13-22(19-8-4-1-5-16(15)19)20(24)17-6-2-3-7-18(17)21-9-11-25-12-10-21/h1-8,15,23H,9-14H2
InChIKeyZIVXVVHSZKMCSP-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.26
Rot. Bonds3

About [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone

[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone (PubChem CID 136545301) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone
PubChem CID136545301
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1N1CCOCC1)N1CC(CO)c2ccccc21
InChIInChI=1S/C20H22N2O3/c23-14-15-13-22(19-8-4-1-5-16(15)19)20(24)17-6-2-3-7-18(17)21-9-11-25-12-10-21/h1-8,15,23H,9-14H2
InChIKeyZIVXVVHSZKMCSP-UHFFFAOYSA-N
XLogP2.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cyclopropyl-3-pyridinyl)-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]methanone
CID 128535298
2-morpholin-4-ylbenzohydrazide
CID 7148386
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
2-(1-acetyl-2,3-dihydroindol-3-yl)-1-morpholin-4-ylethanone
CID 110681914
(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148963
[3-(morpholin-4-ylmethyl)-2,3-dihydroindol-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 46964936
[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 119486562
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 118778888
4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone
CID 51100287
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 134713318
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70747258

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The IUPAC name of [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone (CID 136545301) is [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone is O=C(c1ccccc1N1CCOCC1)N1CC(CO)c2ccccc21.
What is the InChIKey of [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The InChIKey is ZIVXVVHSZKMCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-14-15-13-22(19-8-4-1-5-16(15)19)20(24)17-6-2-3-7-18(17)21-9-11-25-12-10-21/h1-8,15,23H,9-14H2.
What are the key properties of [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone?
[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone has a molecular weight of 338.41 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-(2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 136545301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).