2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one

C19H12ClN3O4 — CID 2917647

IUPAC2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ncccn2)C1c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C19H12ClN3O4/c20-12-6-4-11(5-7-12)15-14(16(24)13-3-1-10-27-13)17(25)18(26)23(15)19-21-8-2-9-22-19/h1-10,15,25H
InChIKeyRXGYWEVZFMGQIN-UHFFFAOYSA-N
MW381.78 g/mol
LogP3.51
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one

2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one (PubChem CID 2917647) has the molecular formula C19H12ClN3O4 and a molecular weight of 381.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
PubChem CID2917647
Molecular FormulaC19H12ClN3O4
Molecular Weight381.78 g/mol
Exact Mass381.05
IUPAC Name2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2ncccn2)C1c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C19H12ClN3O4/c20-12-6-4-11(5-7-12)15-14(16(24)13-3-1-10-27-13)17(25)18(26)23(15)19-21-8-2-9-22-19/h1-10,15,25H
InChIKeyRXGYWEVZFMGQIN-UHFFFAOYSA-N
XLogP3.51
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one (CID 2917647) is 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2ncccn2)C1c1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one?
The InChIKey is RXGYWEVZFMGQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O4/c20-12-6-4-11(5-7-12)15-14(16(24)13-3-1-10-27-13)17(25)18(26)23(15)19-21-8-2-9-22-19/h1-10,15,25H.
What are the key properties of 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one?
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one has a molecular weight of 381.78 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-pyrimidin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 2917647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).