N-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide

C24H25N3O4 — CID 118929954

IUPACN-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide
SMILESO=C(NCC(O)Cc1cc2ccccc2cn1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H25N3O4/c28-22(14-21-13-19-3-1-2-4-20(19)15-25-21)16-26-23(29)17-5-7-18(8-6-17)24(30)27-9-11-31-12-10-27/h1-8,13,15,22,28H,9-12,14,16H2,(H,26,29)
InChIKeyDNKNDDMLKYMZJZ-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.04
Rot. Bonds6

About N-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide

N-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide (PubChem CID 118929954) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide
PubChem CID118929954
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide
SMILESO=C(NCC(O)Cc1cc2ccccc2cn1)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H25N3O4/c28-22(14-21-13-19-3-1-2-4-20(19)15-25-21)16-26-23(29)17-5-7-18(8-6-17)24(30)27-9-11-31-12-10-27/h1-8,13,15,22,28H,9-12,14,16H2,(H,26,29)
InChIKeyDNKNDDMLKYMZJZ-UHFFFAOYSA-N
XLogP2.04
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109045457
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(morpholine-4-carbonyl)benzamide
CID 91838615
N-[3-[2,3-dihydro-1H-inden-2-yl-[dimethoxy(phenyl)methyl]amino]-2-hydroxypropyl]-4-(morpholine-4-carbonyl)benzamide
CID 118918255
N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]naphthalene-2-carboxamide
CID 25497917
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-2-ethoxy-4-(morpholine-4-carbonyl)benzamide
CID 118929074
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
N-[4-(morpholine-4-carbonyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 54839830
N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082968
N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045407
N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083009

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide?
The IUPAC name of N-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide (CID 118929954) is N-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide?
The canonical SMILES for N-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide is O=C(NCC(O)Cc1cc2ccccc2cn1)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide?
The InChIKey is DNKNDDMLKYMZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-22(14-21-13-19-3-1-2-4-20(19)15-25-21)16-26-23(29)17-5-7-18(8-6-17)24(30)27-9-11-31-12-10-27/h1-8,13,15,22,28H,9-12,14,16H2,(H,26,29).
What are the key properties of N-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide?
N-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide has a molecular weight of 419.48 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-isoquinolin-3-ylpropyl)-4-(morpholine-4-carbonyl)benzamide is sourced from PubChem (CID 118929954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).