5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C22H26N4O2 — CID 154866895

IUPAC5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC(=O)Cc1cccc2c1CCN(C(=O)NCc1cccc3c1CCNC3)C2
InChIInChI=1S/C22H26N4O2/c23-21(27)11-15-3-1-6-18-14-26(10-8-20(15)18)22(28)25-13-17-5-2-4-16-12-24-9-7-19(16)17/h1-6,24H,7-14H2,(H2,23,27)(H,25,28)
InChIKeyDYOSXPXFAKLNRR-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.63
Rot. Bonds4

About 5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 154866895) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID154866895
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESNC(=O)Cc1cccc2c1CCN(C(=O)NCc1cccc3c1CCNC3)C2
InChIInChI=1S/C22H26N4O2/c23-21(27)11-15-3-1-6-18-14-26(10-8-20(15)18)22(28)25-13-17-5-2-4-16-12-24-9-7-19(16)17/h1-6,24H,7-14H2,(H2,23,27)(H,25,28)
InChIKeyDYOSXPXFAKLNRR-UHFFFAOYSA-N
XLogP1.63
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

(3S,4S)-4-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-1-N,4-N-dimethylpiperidine-1,4-dicarboxamide
CID 57397022
N-[3-(4-benzhydrylpiperidin-1-yl)propyl]-6-fluoro-1-oxo-3,4-dihydroisoquinoline-2-carboxamide
CID 70692659
N-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzamide
CID 652836
4-(2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)-N-ethylpiperazine-1-carbothioamide
CID 2936533
2-(2-(1-benzylpiperidin-4-yl)ethyl)-1,2-dihydroisoquinolin-3(4H)-one
CID 10066364
2-Naphthalen-1-yl-1-[4-[[4-(2-piperidin-1-ylethylamino)butylamino]methyl]piperidin-1-yl]ethanone
CID 10457180
N-(1-Benzyl-piperidin-4-yl)-2-naphthalen-1-yl-acetamide
CID 10970390
(3R)-3-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbutan-1-one
CID 16736385
2-(2-Phenylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 23642205
2-[4-(Diethylaminomethyl)benzoyl]-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 24772070
N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide
CID 24772642
2-Benzyl-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 24772643

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 154866895) is 5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is NC(=O)Cc1cccc2c1CCN(C(=O)NCc1cccc3c1CCNC3)C2.
What is the InChIKey of 5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is DYOSXPXFAKLNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-21(27)11-15-3-1-6-18-14-26(10-8-20(15)18)22(28)25-13-17-5-2-4-16-12-24-9-7-19(16)17/h1-6,24H,7-14H2,(H2,23,27)(H,25,28).
What are the key properties of 5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroisoquinolin-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 154866895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).