N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

C20H23N3O3 — CID 71886567

IUPACN-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)Cc1ccccc1NC(=O)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C20H23N3O3/c1-22(2)19(25)12-15-5-3-4-6-18(15)21-20(26)23-10-9-14-7-8-17(24)11-16(14)13-23/h3-8,11,24H,9-10,12-13H2,1-2H3,(H,21,26)
InChIKeyVQGJHTHCFQHWMF-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.61
Rot. Bonds3

About N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 71886567) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID71886567
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)Cc1ccccc1NC(=O)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C20H23N3O3/c1-22(2)19(25)12-15-5-3-4-6-18(15)21-20(26)23-10-9-14-7-8-17(24)11-16(14)13-23/h3-8,11,24H,9-10,12-13H2,1-2H3,(H,21,26)
InChIKeyVQGJHTHCFQHWMF-UHFFFAOYSA-N
XLogP2.61
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 60577965
3-(diethylamino)-N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
CID 71992527
N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71940924
N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 48777985
N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-azatricyclo[5.2.1.02,6]decane-4-carboxamide
CID 156607502
N-(2-ethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 6469538
3-(2-aminophenyl)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 120609319
N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108895492
N-(3-chloro-2-methoxyphenyl)-7-ethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86870043
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxyethanone
CID 60968764
N-[2-(morpholine-4-carbonyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71895877
phenyl 7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 61327924

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 71886567) is N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is CN(C)C(=O)Cc1ccccc1NC(=O)N1CCc2ccc(O)cc2C1.
What is the InChIKey of N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is VQGJHTHCFQHWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22(2)19(25)12-15-5-3-4-6-18(15)21-20(26)23-10-9-14-7-8-17(24)11-16(14)13-23/h3-8,11,24H,9-10,12-13H2,1-2H3,(H,21,26).
What are the key properties of N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 71886567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).