4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide

C18H12N2O5 — CID 31020420

IUPAC4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2N1
InChIInChI=1S/C18H12N2O5/c21-13-8-16(25-14-4-2-1-3-11(13)14)18(23)19-10-5-6-15-12(7-10)20-17(22)9-24-15/h1-8H,9H2,(H,19,23)(H,20,22)
InChIKeySZPWDJTXXNNMQB-UHFFFAOYSA-N
MW336.30 g/mol
LogP2.38
Rot. Bonds2

About 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide

4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide (PubChem CID 31020420) has the molecular formula C18H12N2O5 and a molecular weight of 336.30 g/mol. Its IUPAC name is 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide
PubChem CID31020420
Molecular FormulaC18H12N2O5
Molecular Weight336.30 g/mol
Exact Mass336.07
IUPAC Name4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2N1
InChIInChI=1S/C18H12N2O5/c21-13-8-16(25-14-4-2-1-3-11(13)14)18(23)19-10-5-6-15-12(7-10)20-17(22)9-24-15/h1-8H,9H2,(H,19,23)(H,20,22)
InChIKeySZPWDJTXXNNMQB-UHFFFAOYSA-N
XLogP2.38
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153472
3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153429
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide
CID 24671603
2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide
CID 24515939
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide
CID 51207763
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-5-sulfamoylthiophene-3-carboxamide
CID 55462745
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide (CID 31020420) is 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide is O=C1COc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2N1.
What is the InChIKey of 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide?
The InChIKey is SZPWDJTXXNNMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O5/c21-13-8-16(25-14-4-2-1-3-11(13)14)18(23)19-10-5-6-15-12(7-10)20-17(22)9-24-15/h1-8H,9H2,(H,19,23)(H,20,22).
What are the key properties of 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide?
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide has a molecular weight of 336.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide is sourced from PubChem (CID 31020420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).