2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C20H20N4O — CID 127706635

IUPAC2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCC(=O)N1CCc3ccccc31)CCCC2
InChIInChI=1S/C20H20N4O/c21-12-16-11-15-6-1-3-7-17(15)23-20(16)22-13-19(25)24-10-9-14-5-2-4-8-18(14)24/h2,4-5,8,11H,1,3,6-7,9-10,13H2,(H,22,23)
InChIKeyODHGJPKGPORLNE-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.83
Rot. Bonds3

About 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 127706635) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID127706635
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1NCC(=O)N1CCc3ccccc31)CCCC2
InChIInChI=1S/C20H20N4O/c21-12-16-11-15-6-1-3-7-17(15)23-20(16)22-13-19(25)24-10-9-14-5-2-4-8-18(14)24/h2,4-5,8,11H,1,3,6-7,9-10,13H2,(H,22,23)
InChIKeyODHGJPKGPORLNE-UHFFFAOYSA-N
XLogP2.83
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

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Related Compounds

5-chloro-2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]benzonitrile
CID 133285965
2-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 23971420
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 9439842
N-(2-cyanophenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953344
2-(3-hydroxypropylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940405
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone
CID 133469730
6-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 23917336
2-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]butanoic acid
CID 65226528
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid
CID 115585626
2-[(4-chlorophenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981107
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-fluoroisoquinolin-1-yl)amino]ethanone
CID 167873901

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 127706635) is 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1NCC(=O)N1CCc3ccccc31)CCCC2.
What is the InChIKey of 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is ODHGJPKGPORLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-12-16-11-15-6-1-3-7-17(15)23-20(16)22-13-19(25)24-10-9-14-5-2-4-8-18(14)24/h2,4-5,8,11H,1,3,6-7,9-10,13H2,(H,22,23).
What are the key properties of 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 332.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 127706635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).