4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide

C23H18N2O2 — CID 10760609

IUPAC4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cc3ccccc23)cc1
InChIInChI=1S/C23H18N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-22-20-10-6-5-9-18(20)15-21(24-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)
InChIKeyMJZBWCOZBVDNSM-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.16
Rot. Bonds4

About 4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide

4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide (PubChem CID 10760609) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide
PubChem CID10760609
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cc3ccccc23)cc1
InChIInChI=1S/C23H18N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-22-20-10-6-5-9-18(20)15-21(24-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26)
InChIKeyMJZBWCOZBVDNSM-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Vuf8504
CID 10247610
Ssr161421
CID 10201497
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CID 12005317
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide
CID 15987793
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
N-[6-[(3,4-dimethoxybenzoyl)amino]pyridin-2-yl]-3,4-dimethoxybenzamide
CID 1293762
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
4-ethoxy-N-(6-methylpyridin-2-yl)benzamide
CID 656366
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664499
2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide
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CID 10709706

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide?
The IUPAC name of 4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide (CID 10760609) is 4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide is COc1ccc(C(=O)Nc2nc(-c3ccccc3)cc3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide?
The InChIKey is MJZBWCOZBVDNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-27-19-13-11-17(12-14-19)23(26)25-22-20-10-6-5-9-18(20)15-21(24-22)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,26).
What are the key properties of 4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide?
4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-phenylisoquinolin-1-yl)benzamide is sourced from PubChem (CID 10760609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).