N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide

C25H24N2O6 — CID 26434973

IUPACN-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)c2ccco2)c2nccc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C25H24N2O6/c1-29-18-8-7-16(13-20(18)30-2)23(27-25(28)19-6-5-11-33-19)24-17-14-22(32-4)21(31-3)12-15(17)9-10-26-24/h5-14,23H,1-4H3,(H,27,28)/t23-/m1/s1
InChIKeySTZQSTSYRLJMKI-HSZRJFAPSA-N
MW448.48 g/mol
LogP4.38
Rot. Bonds8

About N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide

N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 26434973) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID26434973
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC NameN-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)c2ccco2)c2nccc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C25H24N2O6/c1-29-18-8-7-16(13-20(18)30-2)23(27-25(28)19-6-5-11-33-19)24-17-14-22(32-4)21(31-3)12-15(17)9-10-26-24/h5-14,23H,1-4H3,(H,27,28)/t23-/m1/s1
InChIKeySTZQSTSYRLJMKI-HSZRJFAPSA-N
XLogP4.38
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(R)-(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 1128199
(1R)-2,2-dichloro-N-[(S)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]-1-methylcyclopropane-1-carboxamide
CID 26414772
(3S)-3-(3,4-dimethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
CID 6943067
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 18200791
2-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 5306257
N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide
CID 146475079
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]furan-2-carboxamide
CID 110314871
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 760187
1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione
CID 43321207
N-(2-methoxy-5-propan-2-ylphenyl)furan-2-carboxamide
CID 110776781
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
CID 51269162
(2-methoxy-4-propan-2-ylphenyl) furan-2-carboxylate
CID 58189999

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide (CID 26434973) is N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide is COc1ccc([C@@H](NC(=O)c2ccco2)c2nccc3cc(OC)c(OC)cc23)cc1OC.
What is the InChIKey of N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is STZQSTSYRLJMKI-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-29-18-8-7-16(13-20(18)30-2)23(27-25(28)19-6-5-11-33-19)24-17-14-22(32-4)21(31-3)12-15(17)9-10-26-24/h5-14,23H,1-4H3,(H,27,28)/t23-/m1/s1.
What are the key properties of N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide?
N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 26434973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).