N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide

C19H12N2O5 — CID 110745312

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2C1=O
InChIInChI=1S/C19H12N2O5/c1-21-17(23)12-7-6-11(9-13(12)18(21)24)20-16(22)14-8-10-4-2-3-5-15(10)26-19(14)25/h2-9H,1H3,(H,20,22)
InChIKeyBNCVWJUIICLLTA-UHFFFAOYSA-N
MW348.31 g/mol
LogP2.27
Rot. Bonds2

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide (PubChem CID 110745312) has the molecular formula C19H12N2O5 and a molecular weight of 348.31 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
PubChem CID110745312
Molecular FormulaC19H12N2O5
Molecular Weight348.31 g/mol
Exact Mass348.07
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2C1=O
InChIInChI=1S/C19H12N2O5/c1-21-17(23)12-7-6-11(9-13(12)18(21)24)20-16(22)14-8-10-4-2-3-5-15(10)26-19(14)25/h2-9H,1H3,(H,20,22)
InChIKeyBNCVWJUIICLLTA-UHFFFAOYSA-N
XLogP2.27
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methyl-2,3-dihydroindol-5-yl)-2-oxochromene-3-carboxamide
CID 110744717
2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid
CID 4174312
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
2-oxo-N-(4-pyrrolidin-1-ylphenyl)chromene-3-carboxamide
CID 51157990
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
N-(2-methyl-3H-benzimidazol-5-yl)-2-oxochromene-3-carboxamide
CID 110743882
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
4-bromo-3-methoxy-N-(2-methyl-1,3-dioxoisoindol-5-yl)naphthalene-2-carboxamide
CID 2237139

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide (CID 110745312) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide is CN1C(=O)c2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide?
The InChIKey is BNCVWJUIICLLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O5/c1-21-17(23)12-7-6-11(9-13(12)18(21)24)20-16(22)14-8-10-4-2-3-5-15(10)26-19(14)25/h2-9H,1H3,(H,20,22).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide has a molecular weight of 348.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 110745312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).