4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride

C19H21Cl2N3O — CID 174537459

IUPAC4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride
SMILESCN(C)Cc1ccc2[nH]c(-c3ccc(Cl)c4c3C(O)NC4)cc2c1.Cl
InChIInChI=1S/C19H20ClN3O.ClH/c1-23(2)10-11-3-6-16-12(7-11)8-17(22-16)13-4-5-15(20)14-9-21-19(24)18(13)14;/h3-8,19,21-22,24H,9-10H2,1-2H3;1H
InChIKeyMYSSUDQHDYEJDU-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.07
Rot. Bonds3

About 4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride

4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride (PubChem CID 174537459) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride.

Molecular Properties

Compound Name4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride
PubChem CID174537459
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride
SMILESCN(C)Cc1ccc2[nH]c(-c3ccc(Cl)c4c3C(O)NC4)cc2c1.Cl
InChIInChI=1S/C19H20ClN3O.ClH/c1-23(2)10-11-3-6-16-12(7-11)8-17(22-16)13-4-5-15(20)14-9-21-19(24)18(13)14;/h3-8,19,21-22,24H,9-10H2,1-2H3;1H
InChIKeyMYSSUDQHDYEJDU-UHFFFAOYSA-N
XLogP4.07
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride?
The IUPAC name of 4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride (CID 174537459) is 4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride.
What is the SMILES notation for 4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride?
The canonical SMILES for 4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride is CN(C)Cc1ccc2[nH]c(-c3ccc(Cl)c4c3C(O)NC4)cc2c1.Cl.
What is the InChIKey of 4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride?
The InChIKey is MYSSUDQHDYEJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O.ClH/c1-23(2)10-11-3-6-16-12(7-11)8-17(22-16)13-4-5-15(20)14-9-21-19(24)18(13)14;/h3-8,19,21-22,24H,9-10H2,1-2H3;1H.
What are the key properties of 4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride?
4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride has a molecular weight of 378.30 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[5-[(dimethylamino)methyl]-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol;hydrochloride is sourced from PubChem (CID 174537459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).