7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one

C19H19N3O2 — CID 176506843

IUPAC7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCc2cc(=O)[nH]cc2C1
InChIInChI=1S/C19H19N3O2/c23-18-9-13-7-8-22(12-15(13)11-21-18)19(24)6-5-14-10-20-17-4-2-1-3-16(14)17/h1-4,9-11,20H,5-8,12H2,(H,21,23)
InChIKeyZJSYRPJLUAWVGA-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.37
Rot. Bonds3

About 7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one

7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one (PubChem CID 176506843) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
PubChem CID176506843
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCc2cc(=O)[nH]cc2C1
InChIInChI=1S/C19H19N3O2/c23-18-9-13-7-8-22(12-15(13)11-21-18)19(24)6-5-14-10-20-17-4-2-1-3-16(14)17/h1-4,9-11,20H,5-8,12H2,(H,21,23)
InChIKeyZJSYRPJLUAWVGA-UHFFFAOYSA-N
XLogP2.37
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one with MolForge

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 26404261
3-(1H-indol-3-yl)-1-(3-nitro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 75447451
3-(1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 2524334
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
4-(1H-indol-3-yl)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)butan-1-one
CID 17467441
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
1-(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-2-(1H-indol-3-yl)ethanone
CID 28707231
3-(1H-indol-3-yl)-1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 50957558
3-(1H-indol-3-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-1-one
CID 17424227
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
6-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carboxylic acid
CID 69401533
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The IUPAC name of 7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one (CID 176506843) is 7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one.
What is the SMILES notation for 7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The canonical SMILES for 7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one is O=C(CCc1c[nH]c2ccccc12)N1CCc2cc(=O)[nH]cc2C1.
What is the InChIKey of 7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
The InChIKey is ZJSYRPJLUAWVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18-9-13-7-8-22(12-15(13)11-21-18)19(24)6-5-14-10-20-17-4-2-1-3-16(14)17/h1-4,9-11,20H,5-8,12H2,(H,21,23).
What are the key properties of 7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one?
7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one has a molecular weight of 321.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1H-indol-3-yl)propanoyl]-2,5,6,8-tetrahydro-2,7-naphthyridin-3-one is sourced from PubChem (CID 176506843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).