N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C24H27N3O — CID 131911526

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESO=C(NCCN1CCc2ccccc2C1)C1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C24H27N3O/c28-24(25-13-15-27-14-12-17-6-1-2-7-18(17)16-27)21-10-5-9-20-19-8-3-4-11-22(19)26-23(20)21/h1-4,6-8,11,21,26H,5,9-10,12-16H2,(H,25,28)
InChIKeyJCYRPXVEBISYOI-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.76
Rot. Bonds4

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (PubChem CID 131911526) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
PubChem CID131911526
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESO=C(NCCN1CCc2ccccc2C1)C1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C24H27N3O/c28-24(25-13-15-27-14-12-17-6-1-2-7-18(17)16-27)21-10-5-9-20-19-8-3-4-11-22(19)26-23(20)21/h1-4,6-8,11,21,26H,5,9-10,12-16H2,(H,25,28)
InChIKeyJCYRPXVEBISYOI-UHFFFAOYSA-N
XLogP3.76
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 92881244
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-2-carboxamide
CID 119850094
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 46381968
formic acid;2-[4-(2,3,4,9-tetrahydro-1H-carbazole-1-carbonylamino)piperidin-1-yl]acetic acid
CID 154911998
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 131914265
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 119850140
6-methyl-N-(2-pyrazol-1-ylethyl)-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 86283965
1-[4-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]piperazin-1-yl]ethanone
CID 29258867
morpholin-4-yl(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone
CID 131916432
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119850090
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50744738

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CID 131911526) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is O=C(NCCN1CCc2ccccc2C1)C1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The InChIKey is JCYRPXVEBISYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c28-24(25-13-15-27-14-12-17-6-1-2-7-18(17)16-27)21-10-5-9-20-19-8-3-4-11-22(19)26-23(20)21/h1-4,6-8,11,21,26H,5,9-10,12-16H2,(H,25,28).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 131911526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).