N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C22H19FN4O3 — CID 60607228

IUPACN-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C22H19FN4O3/c23-14-5-6-15-13(10-25-19(15)9-14)7-8-24-20(28)12-27-22(30)17-11-26-18-4-2-1-3-16(18)21(17)29/h1-6,9-11,25H,7-8,12H2,(H,24,28)(H,26,29)(H,27,30)
InChIKeyWQZRTVMGPXAWGF-UHFFFAOYSA-N
MW406.42 g/mol
LogP2.24
Rot. Bonds6

About N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 60607228) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID60607228
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC NameN-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C22H19FN4O3/c23-14-5-6-15-13(10-25-19(15)9-14)7-8-24-20(28)12-27-22(30)17-11-26-18-4-2-1-3-16(18)21(17)29/h1-6,9-11,25H,7-8,12H2,(H,24,28)(H,26,29)(H,27,30)
InChIKeyWQZRTVMGPXAWGF-UHFFFAOYSA-N
XLogP2.24
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337
2-(2,4-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002509
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 49409514
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide
CID 86964457
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112993932
2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide
CID 113083740
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 60607228) is N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is WQZRTVMGPXAWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c23-14-5-6-15-13(10-25-19(15)9-14)7-8-24-20(28)12-27-22(30)17-11-26-18-4-2-1-3-16(18)21(17)29/h1-6,9-11,25H,7-8,12H2,(H,24,28)(H,26,29)(H,27,30).
What are the key properties of N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 60607228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).