2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide

C23H26N2O2 — CID 39781804

IUPAC2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide
SMILESCOc1cccc(-c2cncc3ccccc23)c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C23H26N2O2/c1-15(2)25(16(3)4)23(26)22-19(11-8-12-21(22)27-5)20-14-24-13-17-9-6-7-10-18(17)20/h6-16H,1-5H3
InChIKeyXPFBSMRWZVDZIG-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.17
Rot. Bonds5

About 2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide

2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide (PubChem CID 39781804) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide
PubChem CID39781804
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide
SMILESCOc1cccc(-c2cncc3ccccc23)c1C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C23H26N2O2/c1-15(2)25(16(3)4)23(26)22-19(11-8-12-21(22)27-5)20-14-24-13-17-9-6-7-10-18(17)20/h6-16H,1-5H3
InChIKeyXPFBSMRWZVDZIG-UHFFFAOYSA-N
XLogP5.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-6-(4-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide
CID 18692667
2-hydroxy-8-methoxy-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 101334019
2-methyl-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 15828026
1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone
CID 63939387
2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide
CID 101159147
2-(2,6-dimethoxyphenyl)-3-naphthalen-1-ylnaphthalene-1,4-dione
CID 102377956
16-isoquinolin-4-yl-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,14-dione
CID 122226300
4,5-dimethoxyisoquinoline
CID 119093682
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379
N,N-di(propan-2-yl)-2-[(1R)-1-trimethylsilylethyl]naphthalene-1-carboxamide
CID 101183302
2-fluoro-3-iodo-6-methoxy-N,N-di(propan-2-yl)benzamide
CID 146670025
2-[(2R)-butan-2-yl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 102067521

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide (CID 39781804) is 2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide is COc1cccc(-c2cncc3ccccc23)c1C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide?
The InChIKey is XPFBSMRWZVDZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15(2)25(16(3)4)23(26)22-19(11-8-12-21(22)27-5)20-14-24-13-17-9-6-7-10-18(17)20/h6-16H,1-5H3.
What are the key properties of 2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide?
2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide has a molecular weight of 362.47 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 39781804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).