2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide

C19H17NO5 — CID 4059376

IUPAC2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCC1CCCO1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO5/c1-10-14(19(23)20-9-11-5-4-8-24-11)15-16(21)12-6-2-3-7-13(12)17(22)18(15)25-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,20,23)
InChIKeyUQPPEIMDIHYWRS-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.27
Rot. Bonds3

About 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide

2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide (PubChem CID 4059376) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide
PubChem CID4059376
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCC1CCCO1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H17NO5/c1-10-14(19(23)20-9-11-5-4-8-24-11)15-16(21)12-6-2-3-7-13(12)17(22)18(15)25-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,20,23)
InChIKeyUQPPEIMDIHYWRS-UHFFFAOYSA-N
XLogP2.27
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-3-(4-methylpiperidine-1-carbonyl)benzo[f]benzofuran-4,9-quinone
CID 1382506
2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434124
1-(4,9-Diketo-2-methyl-benzo[f]benzofuran-3-carbonyl)isonipecotic acid ethyl ester
CID 1179668
STAT3 inhibitor 8q
CID 137321152
5-(4-acetylphenyl)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 18160218
N-(tert-butyl)(2-methyl-4,9-dioxonaphtho[2,3-b]furan-3-yl)carboxamide
CID 701359
N-isopentyl-2-methyl-4,9-dioxo-4,9-dihydronaphtho[2,3-b]furan-3-carboxamide
CID 701360
2-Methyl-3-(morpholine-4-carbonyl)benzo[f]benzofuran-4,9-quinone
CID 1382504
2-methyl-N-(3-morpholin-4-ylpropyl)-4,9-dioxo-4,9-dihydronaphtho[2,3-b]furan-3-carboxamide
CID 1631709
(2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 131987129
2-methyl-4,9-dioxo-N-(3-pyrrolidin-1-ylpropyl)benzo[f][1]benzofuran-3-carboxamide
CID 145362855
4-N-(4-hydroxycyclohexyl)-2-N-methyl-5-[(1S)-1-(3-methylphenyl)ethyl]furan-2,4-dicarboxamide
CID 146434133

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide (CID 4059376) is 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)NCC1CCCO1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide?
The InChIKey is UQPPEIMDIHYWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-10-14(19(23)20-9-11-5-4-8-24-11)15-16(21)12-6-2-3-7-13(12)17(22)18(15)25-10/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,20,23).
What are the key properties of 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide?
2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,9-dioxo-N-(oxolan-2-ylmethyl)benzo[f][1]benzofuran-3-carboxamide is sourced from PubChem (CID 4059376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).