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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Related Compounds

6-ethenyl-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 175944098
1-(1H-indol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 175472959
1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 175473015
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 5181055
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
(1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 155395762
N-hydroxy-7-(1H-indol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58055322
(1R)-2-[(3-fluorophenyl)methylsulfonyl]-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline
CID 25258653
1-(1H-indol-3-yl)-2-[(3-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 162399611
(1S)-1-(1H-indol-3-yl)-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 134294091
4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid
CID 147324175
4-naphthalen-1-ylbenzoic acid
CID 2760151

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).