9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride

C17H23ClN2O2 — CID 138398345

IUPAC9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride
SMILESCOc1ccc2c(c1)c1c(n2CCN(C)C)C(=O)CCC1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-18(2)9-10-19-15-8-7-12(21-3)11-14(15)13-5-4-6-16(20)17(13)19;/h7-8,11H,4-6,9-10H2,1-3H3;1H
InChIKeyBRBVDHOXEFARLW-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.15
Rot. Bonds4

About 9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride

9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride (PubChem CID 138398345) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride.

Molecular Properties

Compound Name9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride
PubChem CID138398345
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride
SMILESCOc1ccc2c(c1)c1c(n2CCN(C)C)C(=O)CCC1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-18(2)9-10-19-15-8-7-12(21-3)11-14(15)13-5-4-6-16(20)17(13)19;/h7-8,11H,4-6,9-10H2,1-3H3;1H
InChIKeyBRBVDHOXEFARLW-UHFFFAOYSA-N
XLogP3.15
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl-[2-[6-(4-methoxyphenoxy)-1-oxo-3,4-dihydro-2H-carbazol-9-yl]ethyl]azanium
CID 7037549
8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one
CID 162648090
6-bromo-9-(4-methoxybenzoyl)-3,4-dihydro-2H-carbazol-1-one
CID 11632677
dibenzyl-[2-(6-methyl-1-oxo-3,4-dihydro-2H-carbazol-9-yl)ethyl]azanium
CID 3624451
2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
CID 19808807
1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde
CID 58004720
9-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-pyrido[3,4-b]indol-1-one
CID 90835395
9-(3-chloro-2-hydroxypropyl)-6-methyl-3,4-dihydro-2H-carbazol-1-one
CID 11837050
3-(2,7-dimethoxycarbazol-9-yl)-N,N-dimethylpropan-1-amine
CID 58544929
1-(6-methyl-1-oxo-3,4-dihydro-2H-carbazol-9-yl)propan-2-yl hydrogen sulfite
CID 57162676
6-[2-(dimethylamino)ethoxy]-2-methoxy-10-methylacridin-9-one
CID 21323242
6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one
CID 535444

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride?
The IUPAC name of 9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride (CID 138398345) is 9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride.
What is the SMILES notation for 9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride?
The canonical SMILES for 9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride is COc1ccc2c(c1)c1c(n2CCN(C)C)C(=O)CCC1.Cl.
What is the InChIKey of 9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride?
The InChIKey is BRBVDHOXEFARLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c1-18(2)9-10-19-15-8-7-12(21-3)11-14(15)13-5-4-6-16(20)17(13)19;/h7-8,11H,4-6,9-10H2,1-3H3;1H.
What are the key properties of 9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride?
9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride is sourced from PubChem (CID 138398345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).