4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H22N2O5 — CID 42883609

IUPAC4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)N2Cc3c(OC)ccc(OC)c3C(O)C2)cc1
InChIInChI=1S/C19H22N2O5/c1-24-13-6-4-12(5-7-13)20-19(23)21-10-14-16(25-2)8-9-17(26-3)18(14)15(22)11-21/h4-9,15,22H,10-11H2,1-3H3,(H,20,23)
InChIKeyLSPIEQCFFGGVJM-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.79
Rot. Bonds4

About 4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 42883609) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID42883609
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc(NC(=O)N2Cc3c(OC)ccc(OC)c3C(O)C2)cc1
InChIInChI=1S/C19H22N2O5/c1-24-13-6-4-12(5-7-13)20-19(23)21-10-14-16(25-2)8-9-17(26-3)18(14)15(22)11-21/h4-9,15,22H,10-11H2,1-3H3,(H,20,23)
InChIKeyLSPIEQCFFGGVJM-UHFFFAOYSA-N
XLogP2.79
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 31965882
ethyl 2-[(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 42953575
1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119694123
2-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 119273712
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
2-(4-aminophenyl)-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 119694098
4-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 120559396
2-(4-aminophenyl)-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 119694097
N-(4-methoxyphenyl)-1,6-diazacycloundecane-1-carboxamide
CID 144843106
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681654
N-(4-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 16771863
(4S)-N-(3-ethylphenyl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 8562609

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 42883609) is 4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1ccc(NC(=O)N2Cc3c(OC)ccc(OC)c3C(O)C2)cc1.
What is the InChIKey of 4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is LSPIEQCFFGGVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-13-6-4-12(5-7-13)20-19(23)21-10-14-16(25-2)8-9-17(26-3)18(14)15(22)11-21/h4-9,15,22H,10-11H2,1-3H3,(H,20,23).
What are the key properties of 4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 42883609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).