1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C28H23N3O — CID 175944104

IUPAC1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC(=O)N1CCc2cc(-c3cccc4ccccc34)ccc2C1c1c[nH]c2ccccc12
InChIInChI=1S/C28H23N3O/c29-28(32)31-15-14-20-16-19(22-10-5-7-18-6-1-2-8-21(18)22)12-13-23(20)27(31)25-17-30-26-11-4-3-9-24(25)26/h1-13,16-17,27,30H,14-15H2,(H2,29,32)
InChIKeyNTEOWVMUZRJXGY-UHFFFAOYSA-N
MW417.51 g/mol
LogP6.01
Rot. Bonds2

About 1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 175944104) has the molecular formula C28H23N3O and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID175944104
Molecular FormulaC28H23N3O
Molecular Weight417.51 g/mol
Exact Mass417.18
IUPAC Name1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC(=O)N1CCc2cc(-c3cccc4ccccc34)ccc2C1c1c[nH]c2ccccc12
InChIInChI=1S/C28H23N3O/c29-28(32)31-15-14-20-16-19(22-10-5-7-18-6-1-2-8-21(18)22)12-13-23(20)27(31)25-17-30-26-11-4-3-9-24(25)26/h1-13,16-17,27,30H,14-15H2,(H2,29,32)
InChIKeyNTEOWVMUZRJXGY-UHFFFAOYSA-N
XLogP6.01
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 175944104) is 1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is NC(=O)N1CCc2cc(-c3cccc4ccccc34)ccc2C1c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is NTEOWVMUZRJXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O/c29-28(32)31-15-14-20-16-19(22-10-5-7-18-6-1-2-8-21(18)22)12-13-23(20)27(31)25-17-30-26-11-4-3-9-24(25)26/h1-13,16-17,27,30H,14-15H2,(H2,29,32).
What are the key properties of 1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 6.01, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-6-naphthalen-1-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 175944104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).