3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide

C26H27N3O — CID 22458850

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCN3CCc4ccccc4C3)ccc21
InChIInChI=1S/C26H27N3O/c1-2-29-24-10-6-5-9-22(24)23-17-21(11-12-25(23)29)27-26(30)14-16-28-15-13-19-7-3-4-8-20(19)18-28/h3-12,17H,2,13-16,18H2,1H3,(H,27,30)
InChIKeyQSKHFRGQNTXUGJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.20
Rot. Bonds5

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide

3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide (PubChem CID 22458850) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
PubChem CID22458850
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCN3CCc4ccccc4C3)ccc21
InChIInChI=1S/C26H27N3O/c1-2-29-24-10-6-5-9-22(24)23-17-21(11-12-25(23)29)27-26(30)14-16-28-15-13-19-7-3-4-8-20(19)18-28/h3-12,17H,2,13-16,18H2,1H3,(H,27,30)
InChIKeyQSKHFRGQNTXUGJ-UHFFFAOYSA-N
XLogP5.20
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(dimethylamino)piperidin-1-yl]-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458844
3-(4-benzylpiperidin-1-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458815
N-(9-ethylcarbazol-3-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 22458846
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride
CID 52998055
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-phenoxyphenyl)propanamide
CID 109024615
N-(4-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide;oxalic acid
CID 171154302

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide (CID 22458850) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)CCN3CCc4ccccc4C3)ccc21.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide?
The InChIKey is QSKHFRGQNTXUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-2-29-24-10-6-5-9-22(24)23-17-21(11-12-25(23)29)27-26(30)14-16-28-15-13-19-7-3-4-8-20(19)18-28/h3-12,17H,2,13-16,18H2,1H3,(H,27,30).
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide has a molecular weight of 397.52 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide is sourced from PubChem (CID 22458850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).