5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

C21H24ClNO3 — CID 117068954

IUPAC5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCl.O=C1CCCc2c(OCC(O)CN3CCc4ccccc43)cccc21
InChIInChI=1S/C21H23NO3.ClH/c23-16(13-22-12-11-15-5-1-2-8-19(15)22)14-25-21-10-4-6-17-18(21)7-3-9-20(17)24;/h1-2,4-6,8,10,16,23H,3,7,9,11-14H2;1H
InChIKeyMGPVGNXNXTWDQC-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.43
Rot. Bonds5

About 5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (PubChem CID 117068954) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.

Molecular Properties

Compound Name5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
PubChem CID117068954
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCl.O=C1CCCc2c(OCC(O)CN3CCc4ccccc43)cccc21
InChIInChI=1S/C21H23NO3.ClH/c23-16(13-22-12-11-15-5-1-2-8-19(15)22)14-25-21-10-4-6-17-18(21)7-3-9-20(17)24;/h1-2,4-6,8,10,16,23H,3,7,9,11-14H2;1H
InChIKeyMGPVGNXNXTWDQC-UHFFFAOYSA-N
XLogP3.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 138959504
1-(2,3-dihydroindol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138959543
5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 117068983
1-[4-[(2R)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 94488286
N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 3558526
1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138959492
5-(2,2-difluoroethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65455954
1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 3350158
(2S)-1-(2,3-dihydroindol-1-yl)-3-[4-[4-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]phenyl]sulfonylphenoxy]propan-2-ol
CID 100822983
1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
CID 19133022
1-(2,3-dihydroindol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 138959489
1-[2-hydroxy-3-(2-methoxyethoxy)propyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 106990763

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The IUPAC name of 5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (CID 117068954) is 5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.
What is the SMILES notation for 5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The canonical SMILES for 5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is Cl.O=C1CCCc2c(OCC(O)CN3CCc4ccccc43)cccc21.
What is the InChIKey of 5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The InChIKey is MGPVGNXNXTWDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3.ClH/c23-16(13-22-12-11-15-5-1-2-8-19(15)22)14-25-21-10-4-6-17-18(21)7-3-9-20(17)24;/h1-2,4-6,8,10,16,23H,3,7,9,11-14H2;1H.
What are the key properties of 5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is sourced from PubChem (CID 117068954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).