N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide

C27H27N3O5 — CID 122639395

IUPACN-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide
SMILESCOc1cccc(-c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)c3c2CNC3=O)c1OC
InChIInChI=1S/C27H27N3O5/c1-33-23-5-3-4-20(25(23)34-2)19-10-11-22(24-21(19)16-28-27(24)32)29-26(31)17-6-8-18(9-7-17)30-12-14-35-15-13-30/h3-11H,12-16H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyBNPZHMDEMUQNHO-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.70
Rot. Bonds6

About N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide

N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide (PubChem CID 122639395) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide
PubChem CID122639395
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC NameN-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide
SMILESCOc1cccc(-c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)c3c2CNC3=O)c1OC
InChIInChI=1S/C27H27N3O5/c1-33-23-5-3-4-20(25(23)34-2)19-10-11-22(24-21(19)16-28-27(24)32)29-26(31)17-6-8-18(9-7-17)30-12-14-35-15-13-30/h3-11H,12-16H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyBNPZHMDEMUQNHO-UHFFFAOYSA-N
XLogP3.70
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 122639089
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-[3-(4-methylpiperazin-1-yl)propylamino]benzamide
CID 122639476
3,4-dimethoxy-N-(3-oxo-7-phenyl-1,2-dihydroisoindol-4-yl)benzamide
CID 122639366
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 84508322
3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362463
N-(2-acetyl-4-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 66659181
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
4-(2,3-dimethoxyphenyl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 164926626
3,4,5-trimethoxy-N-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]carbamothioyl]benzamide
CID 57326208
N-(2-chloro-5-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 110362746
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 110362600

Frequently Asked Questions

What is the IUPAC name of N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide (CID 122639395) is N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide is COc1cccc(-c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)c3c2CNC3=O)c1OC.
What is the InChIKey of N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is BNPZHMDEMUQNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-33-23-5-3-4-20(25(23)34-2)19-10-11-22(24-21(19)16-28-27(24)32)29-26(31)17-6-8-18(9-7-17)30-12-14-35-15-13-30/h3-11H,12-16H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide?
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 473.53 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 122639395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).