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

C17H24N2O5 — CID 51074682

IUPAC4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc(OC)c2c1CN(C(=O)NCC1CCCO1)CC2O
InChIInChI=1S/C17H24N2O5/c1-22-14-5-6-15(23-2)16-12(14)9-19(10-13(16)20)17(21)18-8-11-4-3-7-24-11/h5-6,11,13,20H,3-4,7-10H2,1-2H3,(H,18,21)
InChIKeyGBAJIIDAZNVPMH-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.44
Rot. Bonds4

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

4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 51074682) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID51074682
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc(OC)c2c1CN(C(=O)NCC1CCCO1)CC2O
InChIInChI=1S/C17H24N2O5/c1-22-14-5-6-15(23-2)16-12(14)9-19(10-13(16)20)17(21)18-8-11-4-3-7-24-11/h5-6,11,13,20H,3-4,7-10H2,1-2H3,(H,18,21)
InChIKeyGBAJIIDAZNVPMH-UHFFFAOYSA-N
XLogP1.44
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 38197638
4-(3-chloro-4-methoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105580
4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 42883609
1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119694123
1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-2-ylethanone
CID 119694138
2-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 119273712
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120919943
1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 71883148
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
4-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 120559396

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 51074682) is 4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1ccc(OC)c2c1CN(C(=O)NCC1CCCO1)CC2O.
What is the InChIKey of 4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is GBAJIIDAZNVPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-22-14-5-6-15(23-2)16-12(14)9-19(10-13(16)20)17(21)18-8-11-4-3-7-24-11/h5-6,11,13,20H,3-4,7-10H2,1-2H3,(H,18,21).
What are the key properties of 4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
4-hydroxy-5,8-dimethoxy-N-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.44, 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-(oxolan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 51074682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).