8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide

C21H18N2O5 — CID 26458989

IUPAC8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)c(=O)oc12
InChIInChI=1S/C21H18N2O5/c1-27-17-8-2-5-13-11-16(21(26)28-19(13)17)20(25)22-14-6-3-7-15(12-14)23-10-4-9-18(23)24/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,25)
InChIKeyVJDCZPMSZUUQFU-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.18
Rot. Bonds4

About 8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide

8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide (PubChem CID 26458989) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide
PubChem CID26458989
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)c(=O)oc12
InChIInChI=1S/C21H18N2O5/c1-27-17-8-2-5-13-11-16(21(26)28-19(13)17)20(25)22-14-6-3-7-15(12-14)23-10-4-9-18(23)24/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,25)
InChIKeyVJDCZPMSZUUQFU-UHFFFAOYSA-N
XLogP3.18
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687662
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55588399
1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 27870009
4-amino-5-chloro-2-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 119724540
3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687589
3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687664
8-methoxy-2-oxo-N-[3-[2-(trifluoromethoxy)phenyl]phenyl]chromene-3-carboxamide
CID 86650395
8-methoxy-N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 122297017
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
2-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686423
tert-butyl 2-[3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]phenyl]pyrrole-1-carboxylate
CID 86650467
N-[3-(1H-indol-5-yl)phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 86650416

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide?
The IUPAC name of 8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide (CID 26458989) is 8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3cccc(N4CCCC4=O)c3)c(=O)oc12.
What is the InChIKey of 8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide?
The InChIKey is VJDCZPMSZUUQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-27-17-8-2-5-13-11-16(21(26)28-19(13)17)20(25)22-14-6-3-7-15(12-14)23-10-4-9-18(23)24/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,22,25).
What are the key properties of 8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide?
8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]chromene-3-carboxamide is sourced from PubChem (CID 26458989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).