7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride

C19H21ClN4O — CID 68809673

IUPAC7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride
SMILESCN(C)Cc1cc2c(c(-c3cc4cc(N)ccc4[nH]3)c1)C(=O)NC2.Cl
InChIInChI=1S/C19H20N4O.ClH/c1-23(2)10-11-5-13-9-21-19(24)18(13)15(6-11)17-8-12-7-14(20)3-4-16(12)22-17;/h3-8,22H,9-10,20H2,1-2H3,(H,21,24);1H
InChIKeyAUHIUNJLJNMQCH-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.14
Rot. Bonds3

About 7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride

7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride (PubChem CID 68809673) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride.

Molecular Properties

Compound Name7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride
PubChem CID68809673
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride
SMILESCN(C)Cc1cc2c(c(-c3cc4cc(N)ccc4[nH]3)c1)C(=O)NC2.Cl
InChIInChI=1S/C19H20N4O.ClH/c1-23(2)10-11-5-13-9-21-19(24)18(13)15(6-11)17-8-12-7-14(20)3-4-16(12)22-17;/h3-8,22H,9-10,20H2,1-2H3,(H,21,24);1H
InChIKeyAUHIUNJLJNMQCH-UHFFFAOYSA-N
XLogP3.14
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride?
The IUPAC name of 7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride (CID 68809673) is 7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride.
What is the SMILES notation for 7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride?
The canonical SMILES for 7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride is CN(C)Cc1cc2c(c(-c3cc4cc(N)ccc4[nH]3)c1)C(=O)NC2.Cl.
What is the InChIKey of 7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride?
The InChIKey is AUHIUNJLJNMQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.ClH/c1-23(2)10-11-5-13-9-21-19(24)18(13)15(6-11)17-8-12-7-14(20)3-4-16(12)22-17;/h3-8,22H,9-10,20H2,1-2H3,(H,21,24);1H.
What are the key properties of 7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride?
7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride has a molecular weight of 356.86 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-amino-1H-indol-2-yl)-5-[(dimethylamino)methyl]-2,3-dihydroisoindol-1-one;hydrochloride is sourced from PubChem (CID 68809673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).