1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride

C17H24Cl2N2O2 — CID 45283705

IUPAC1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCc1c(C)n(CC(O)CN2CCOCC2)c2c(Cl)cccc12.Cl
InChIInChI=1S/C17H23ClN2O2.ClH/c1-12-13(2)20(17-15(12)4-3-5-16(17)18)11-14(21)10-19-6-8-22-9-7-19;/h3-5,14,21H,6-11H2,1-2H3;1H
InChIKeyNEDZLAUEPHPXTI-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.03
Rot. Bonds4

About 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride

1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride (PubChem CID 45283705) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride
PubChem CID45283705
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride
SMILESCc1c(C)n(CC(O)CN2CCOCC2)c2c(Cl)cccc12.Cl
InChIInChI=1S/C17H23ClN2O2.ClH/c1-12-13(2)20(17-15(12)4-3-5-16(17)18)11-14(21)10-19-6-8-22-9-7-19;/h3-5,14,21H,6-11H2,1-2H3;1H
InChIKeyNEDZLAUEPHPXTI-UHFFFAOYSA-N
XLogP3.03
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(azepan-1-yl)-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol
CID 42589641
1-[(2S)-3-(7-chloro-2,3-dimethylindol-1-yl)-2-hydroxypropyl]piperidin-4-ol
CID 42589645
1-morpholin-4-yl-3-(2,3,6-trimethylindol-1-yl)propan-2-ol
CID 167588566
(2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol
CID 42589607
hydron;1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;chloride
CID 648761
1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol
CID 17028357
(2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(cyclohexylamino)propan-2-ol
CID 42589633
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 46906417
1-(7-chloro-2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 17028444
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 66742472
(2R)-1-(8-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 30726611

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride (CID 45283705) is 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride is Cc1c(C)n(CC(O)CN2CCOCC2)c2c(Cl)cccc12.Cl.
What is the InChIKey of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
The InChIKey is NEDZLAUEPHPXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2.ClH/c1-12-13(2)20(17-15(12)4-3-5-16(17)18)11-14(21)10-19-6-8-22-9-7-19;/h3-5,14,21H,6-11H2,1-2H3;1H.
What are the key properties of 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride?
1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride has a molecular weight of 359.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2,3-dimethylindol-1-yl)-3-morpholin-4-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 45283705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).