4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide

C26H18N2O5 — CID 168517737

IUPAC4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2c(N2C(=O)c3ccccc3C2=O)c1O
InChIInChI=1S/C26H18N2O5/c1-33-21-13-7-6-12-20(21)27-24(30)19-14-15-8-2-3-9-16(15)22(23(19)29)28-25(31)17-10-4-5-11-18(17)26(28)32/h2-14,29H,1H3,(H,27,30)
InChIKeyDTSLBXHPJWFQLR-UHFFFAOYSA-N
MW438.44 g/mol
LogP4.61
Rot. Bonds4

About 4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide

4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide (PubChem CID 168517737) has the molecular formula C26H18N2O5 and a molecular weight of 438.44 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
PubChem CID168517737
Molecular FormulaC26H18N2O5
Molecular Weight438.44 g/mol
Exact Mass438.12
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2ccccc2c(N2C(=O)c3ccccc3C2=O)c1O
InChIInChI=1S/C26H18N2O5/c1-33-21-13-7-6-12-20(21)27-24(30)19-14-15-8-2-3-9-16(15)22(23(19)29)28-25(31)17-10-4-5-11-18(17)26(28)32/h2-14,29H,1H3,(H,27,30)
InChIKeyDTSLBXHPJWFQLR-UHFFFAOYSA-N
XLogP4.61
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(2-methoxyphenyl)-4-methylnaphthalene-2-carboxamide
CID 59945088
4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 168538631
4-[[7-[[3-[(2-chlorophenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 135731631
4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 1354025
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
3-formyl-2-hydroxy-N-(2-methoxyphenyl)naphthalene-1-carboxamide
CID 21475494
N-(2-methoxyphenyl)-2-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 1117009
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046359
5-chloro-2-ethyl-3-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
CID 136708031
4-bromo-N-(2,4-dimethoxyphenyl)-3-methoxynaphthalene-2-carboxamide
CID 2235743
N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 34636649

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide (CID 168517737) is 4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide is COc1ccccc1NC(=O)c1cc2ccccc2c(N2C(=O)c3ccccc3C2=O)c1O.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is DTSLBXHPJWFQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O5/c1-33-21-13-7-6-12-20(21)27-24(30)19-14-15-8-2-3-9-16(15)22(23(19)29)28-25(31)17-10-4-5-11-18(17)26(28)32/h2-14,29H,1H3,(H,27,30).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide?
4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 438.44 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 168517737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).