2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide

C24H28N4O3 — CID 134818069

IUPAC2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide
SMILESN#Cc1c(OC(CCc2ccccc2)C(N)=O)nc(N2CCOCC2)c2c1CCCC2
InChIInChI=1S/C24H28N4O3/c25-16-20-18-8-4-5-9-19(18)23(28-12-14-30-15-13-28)27-24(20)31-21(22(26)29)11-10-17-6-2-1-3-7-17/h1-3,6-7,21H,4-5,8-15H2,(H2,26,29)
InChIKeyLUPHDXHIZKCERO-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.53
Rot. Bonds7

About 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide

2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide (PubChem CID 134818069) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide.

Molecular Properties

Compound Name2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide
PubChem CID134818069
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide
SMILESN#Cc1c(OC(CCc2ccccc2)C(N)=O)nc(N2CCOCC2)c2c1CCCC2
InChIInChI=1S/C24H28N4O3/c25-16-20-18-8-4-5-9-19(18)23(28-12-14-30-15-13-28)27-24(20)31-21(22(26)29)11-10-17-6-2-1-3-7-17/h1-3,6-7,21H,4-5,8-15H2,(H2,26,29)
InChIKeyLUPHDXHIZKCERO-UHFFFAOYSA-N
XLogP2.53
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]propanoate
CID 3971384
methyl 2-(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)-4-phenylbutanoate
CID 46867268
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282437
1-(benzylamino)-7-ethyl-3-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 658457
benzyl 4-[4-cyano-3-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6-naphthalen-1-yl-7,8-dihydro-5H-2,6-naphthyridin-1-yl]piperazine-1-carboxylate
CID 176630845
2-morpholin-4-yl-4-phenylbutanenitrile
CID 15907702
8-morpholin-4-yl-N-(2-phenylethyl)-11-thia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 1262038
16-(1,4-oxazepan-4-yl)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile;hydrochloride
CID 161422594
1-benzyl-2-methyl-4-morpholin-4-yl-6-sulfanylidenepyrimidine-5-carbonitrile
CID 10404121
7-benzyl-3-(furan-2-ylmethylamino)-1-morpholin-4-yl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
CID 4860273
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide?
The IUPAC name of 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide (CID 134818069) is 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide.
What is the SMILES notation for 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide?
The canonical SMILES for 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide is N#Cc1c(OC(CCc2ccccc2)C(N)=O)nc(N2CCOCC2)c2c1CCCC2.
What is the InChIKey of 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide?
The InChIKey is LUPHDXHIZKCERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c25-16-20-18-8-4-5-9-19(18)23(28-12-14-30-15-13-28)27-24(20)31-21(22(26)29)11-10-17-6-2-1-3-7-17/h1-3,6-7,21H,4-5,8-15H2,(H2,26,29).
What are the key properties of 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide?
2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide has a molecular weight of 420.51 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)oxy]-4-phenylbutanamide is sourced from PubChem (CID 134818069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).