(4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H21FN2O4 — CID 38197638

IUPAC(4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc(OC)c2c1CN(C(=O)NCc1ccc(F)cc1)C[C@@H]2O
InChIInChI=1S/C19H21FN2O4/c1-25-16-7-8-17(26-2)18-14(16)10-22(11-15(18)23)19(24)21-9-12-3-5-13(20)6-4-12/h3-8,15,23H,9-11H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyUXYDVPYDGLGIHB-HNNXBMFYSA-N
MW360.39 g/mol
LogP2.60
Rot. Bonds4

About (4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

(4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 38197638) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is (4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID38197638
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name(4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1ccc(OC)c2c1CN(C(=O)NCc1ccc(F)cc1)C[C@@H]2O
InChIInChI=1S/C19H21FN2O4/c1-25-16-7-8-17(26-2)18-14(16)10-22(11-15(18)23)19(24)21-9-12-3-5-13(20)6-4-12/h3-8,15,23H,9-11H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyUXYDVPYDGLGIHB-HNNXBMFYSA-N
XLogP2.60
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

4-hydroxy-5,8-dimethoxy-N-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 42883609
2-(4-aminophenyl)-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 119694098
2-[3-[5-fluoro-2-[(4-fluorophenyl)methylcarbamoyl]-3,4-dihydro-1H-isoquinolin-8-yl]-4-methoxyphenyl]acetic acid
CID 71611695
1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119694123
2-(4-aminophenyl)-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 119694097
2-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 119273712
4-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one;hydrochloride
CID 119273717
2-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one
CID 119694134
4-amino-1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 120559396
ethyl 2-[[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 31965882
1-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-2-ylethanone
CID 119694138
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of (4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 38197638) is (4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for (4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for (4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1ccc(OC)c2c1CN(C(=O)NCc1ccc(F)cc1)C[C@@H]2O.
What is the InChIKey of (4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is UXYDVPYDGLGIHB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-25-16-7-8-17(26-2)18-14(16)10-22(11-15(18)23)19(24)21-9-12-3-5-13(20)6-4-12/h3-8,15,23H,9-11H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
(4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(4-fluorophenyl)methyl]-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 38197638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).