3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide

C24H25N3O3 — CID 3238965

IUPAC3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
SMILESCN1C(=O)c2ccccc2C(C(=O)NCC2CCCO2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C24H25N3O3/c1-27-22(19-14-25-20-11-5-4-8-16(19)20)21(17-9-2-3-10-18(17)24(27)29)23(28)26-13-15-7-6-12-30-15/h2-5,8-11,14-15,21-22,25H,6-7,12-13H2,1H3,(H,26,28)
InChIKeyLPGNLWZFYXQVTR-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.37
Rot. Bonds4

About 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide

3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 3238965) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID3238965
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
SMILESCN1C(=O)c2ccccc2C(C(=O)NCC2CCCO2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C24H25N3O3/c1-27-22(19-14-25-20-11-5-4-8-16(19)20)21(17-9-2-3-10-18(17)24(27)29)23(28)26-13-15-7-6-12-30-15/h2-5,8-11,14-15,21-22,25H,6-7,12-13H2,1H3,(H,26,28)
InChIKeyLPGNLWZFYXQVTR-UHFFFAOYSA-N
XLogP3.37
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide (CID 3238965) is 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide is CN1C(=O)c2ccccc2C(C(=O)NCC2CCCO2)C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is LPGNLWZFYXQVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-27-22(19-14-25-20-11-5-4-8-16(19)20)21(17-9-2-3-10-18(17)24(27)29)23(28)26-13-15-7-6-12-30-15/h2-5,8-11,14-15,21-22,25H,6-7,12-13H2,1H3,(H,26,28).
What are the key properties of 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide?
3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-(oxolan-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 3238965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).