N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide

C19H14N2O5 — CID 154810863

IUPACN-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
SMILESO=C1CCC(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)C(=O)N1
InChIInChI=1S/C19H14N2O5/c22-16-8-6-14(18(24)21-16)20-17(23)13-9-12-11-4-2-1-3-10(11)5-7-15(12)26-19(13)25/h1-5,7,9,14H,6,8H2,(H,20,23)(H,21,22,24)
InChIKeyAFEZZXHOTHCTAN-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.48
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide

N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide (PubChem CID 154810863) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
PubChem CID154810863
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
SMILESO=C1CCC(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)C(=O)N1
InChIInChI=1S/C19H14N2O5/c22-16-8-6-14(18(24)21-16)20-17(23)13-9-12-11-4-2-1-3-10(11)5-7-15(12)26-19(13)25/h1-5,7,9,14H,6,8H2,(H,20,23)(H,21,22,24)
InChIKeyAFEZZXHOTHCTAN-UHFFFAOYSA-N
XLogP1.48
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-3-oxobenzo[f]chromene-2-carboxamide
CID 900146
N-(2,6-dioxopiperidin-3-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 146129250
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
2-(adamantane-1-carbonyl)benzo[f]chromen-3-one
CID 13067769
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
3-oxo-N-(2-sulfanylphenyl)benzo[f]chromene-2-carboxamide
CID 878985
3-oxo-N-pyridin-4-ylbenzo[f]chromene-2-carboxamide
CID 2266147
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
CID 106686964
N-(3,4-dimethylphenyl)-3-oxobenzo[f]chromene-2-carboxamide
CID 3316389
4-(3-oxobenzo[f]chromene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863949

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide (CID 154810863) is N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide is O=C1CCC(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide?
The InChIKey is AFEZZXHOTHCTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c22-16-8-6-14(18(24)21-16)20-17(23)13-9-12-11-4-2-1-3-10(11)5-7-15(12)26-19(13)25/h1-5,7,9,14H,6,8H2,(H,20,23)(H,21,22,24).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-3-oxobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 154810863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).