1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide

C20H14N2O4 — CID 515972

IUPAC1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C20H14N2O4/c21-19(25)14-4-6-17-16(9-14)18(24)20(26)22(17)10-11-1-2-13-8-15(23)5-3-12(13)7-11/h1-9,23H,10H2,(H2,21,25)
InChIKeyRTNHVMIFNFLRNR-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.37
Rot. Bonds3

About 1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide

1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide (PubChem CID 515972) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is 1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide.

Molecular Properties

Compound Name1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide
PubChem CID515972
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2cc(O)ccc2c1
InChIInChI=1S/C20H14N2O4/c21-19(25)14-4-6-17-16(9-14)18(24)20(26)22(17)10-11-1-2-13-8-15(23)5-3-12(13)7-11/h1-9,23H,10H2,(H2,21,25)
InChIKeyRTNHVMIFNFLRNR-UHFFFAOYSA-N
XLogP2.37
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-Methoxy-2-naphthyl)methyl]-2,3-dioxo-indoline-5-carboxamide
CID 515969
1-[(3-Hydroxyphenyl)methyl]-2,3-dioxo-indoline-5-carboxamide
CID 515970
1-[(3,5-Dihydroxyphenyl)methyl]-2,3-dioxo-indoline-5-carboxamide
CID 515971
3-(2-Hydroxy-3,4-dimethylbenzoyl)-2-(4-methylphenyl)isoindolin-1-one
CID 2732546
5-(4-Methoxyphenyl)-1-(naphthalen-2-ylmethyl)indole-2,3-dione
CID 145990806
3-(2-Hydroxy-5-methylbenzoyl)-2-(4-methylphenyl)-1-isoindolinone
CID 2732541
1-(2-Naphthylmethyl)-2,3-dioxo-indoline-5-carboxylic acid
CID 11631316
3-[6-[(6-hydroxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166819473
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide
CID 171088483
(2S)-1-(6,7-dihydroxynaphthalene-2-carbonyl)-N-phenylpyrrolidine-2-carboxamide
CID 164626890
3-(2-hydroxy-4-methylbenzoyl)-2-(4-methylphenyl)-3H-isoindol-1-one
CID 2732542
6-(4-Hydroxyphenyl)-1-(2,2,2-trifluoroethyl)benzo[cd]indol-2-one
CID 89924477

Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide?
The IUPAC name of 1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide (CID 515972) is 1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide.
What is the SMILES notation for 1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide?
The canonical SMILES for 1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide is NC(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc2cc(O)ccc2c1.
What is the InChIKey of 1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide?
The InChIKey is RTNHVMIFNFLRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c21-19(25)14-4-6-17-16(9-14)18(24)20(26)22(17)10-11-1-2-13-8-15(23)5-3-12(13)7-11/h1-9,23H,10H2,(H2,21,25).
What are the key properties of 1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide?
1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydroxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide is sourced from PubChem (CID 515972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).