6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide

C20H15ClN2O5 — CID 51065387

IUPAC6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)cc2N(C)C1=O
InChIInChI=1S/C20H15ClN2O5/c1-10-20(26)23(2)14-8-12(4-6-17(14)27-10)22-19(25)18-9-15(24)13-7-11(21)3-5-16(13)28-18/h3-10H,1-2H3,(H,22,25)
InChIKeyQBIJWVIZNNFZLZ-UHFFFAOYSA-N
MW398.80 g/mol
LogP3.44
Rot. Bonds2

About 6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide

6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide (PubChem CID 51065387) has the molecular formula C20H15ClN2O5 and a molecular weight of 398.80 g/mol. Its IUPAC name is 6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide
PubChem CID51065387
Molecular FormulaC20H15ClN2O5
Molecular Weight398.80 g/mol
Exact Mass398.07
IUPAC Name6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)cc2N(C)C1=O
InChIInChI=1S/C20H15ClN2O5/c1-10-20(26)23(2)14-8-12(4-6-17(14)27-10)22-19(25)18-9-15(24)13-7-11(21)3-5-16(13)28-18/h3-10H,1-2H3,(H,22,25)
InChIKeyQBIJWVIZNNFZLZ-UHFFFAOYSA-N
XLogP3.44
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.80
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide
CID 9203867
6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
CID 9040132
6-chloro-N-[4-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]-4-oxochromene-2-carboxamide
CID 52988546
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
2-(aminomethyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 154915006
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51065384
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793038
6-bromo-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 35181653
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52904676

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide (CID 51065387) is 6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide is CC1Oc2ccc(NC(=O)c3cc(=O)c4cc(Cl)ccc4o3)cc2N(C)C1=O.
What is the InChIKey of 6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide?
The InChIKey is QBIJWVIZNNFZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O5/c1-10-20(26)23(2)14-8-12(4-6-17(14)27-10)22-19(25)18-9-15(24)13-7-11(21)3-5-16(13)28-18/h3-10H,1-2H3,(H,22,25).
What are the key properties of 6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide?
6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide has a molecular weight of 398.80 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 51065387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).