3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

C25H17ClN2O4 — CID 108591875

IUPAC3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1cccnc1
InChIInChI=1S/C25H17ClN2O4/c1-14-11-17(26)8-9-18(14)28-22(16-6-4-10-27-13-16)21(24(30)25(28)31)23(29)20-12-15-5-2-3-7-19(15)32-20/h2-13,22,30H,1H3
InChIKeyQNWMODSEGJRRAO-UHFFFAOYSA-N
MW444.87 g/mol
LogP5.57
Rot. Bonds4

About 3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 108591875) has the molecular formula C25H17ClN2O4 and a molecular weight of 444.87 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID108591875
Molecular FormulaC25H17ClN2O4
Molecular Weight444.87 g/mol
Exact Mass444.09
IUPAC Name3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1cccnc1
InChIInChI=1S/C25H17ClN2O4/c1-14-11-17(26)8-9-18(14)28-22(16-6-4-10-27-13-16)21(24(30)25(28)31)23(29)20-12-15-5-2-3-7-19(15)32-20/h2-13,22,30H,1H3
InChIKeyQNWMODSEGJRRAO-UHFFFAOYSA-N
XLogP5.57
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.87
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591483
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592004
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-phenyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629775
3-(1-benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3338609
1-(4-chloro-2-methylphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591898
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 3270102
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108591048
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-hydroxyphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629346
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 5156087
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(6-methyl-1H-benzimidazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108592657
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108724022
3-(1-benzofuran-2-carbonyl)-1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3308787

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one (CID 108591875) is 3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is Cc1cc(Cl)ccc1N1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1cccnc1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is QNWMODSEGJRRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O4/c1-14-11-17(26)8-9-18(14)28-22(16-6-4-10-27-13-16)21(24(30)25(28)31)23(29)20-12-15-5-2-3-7-19(15)32-20/h2-13,22,30H,1H3.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 444.87 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-1-(4-chloro-2-methylphenyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108591875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).