2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride

C21H22Cl2N2O5 — CID 163330118

IUPAC2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride
SMILESCl.O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C21H21ClN2O5.ClH/c22-15-5-3-14(4-6-15)18-17(19(25)16-2-1-11-29-16)20(26)21(27)24(18)8-7-23-9-12-28-13-10-23;/h1-6,11,18,26H,7-10,12-13H2;1H
InChIKeyNZKPTMQDIACLHK-UHFFFAOYSA-N
MW453.32 g/mol
LogP3.27
Rot. Bonds6

About 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride

2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride (PubChem CID 163330118) has the molecular formula C21H22Cl2N2O5 and a molecular weight of 453.32 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride
PubChem CID163330118
Molecular FormulaC21H22Cl2N2O5
Molecular Weight453.32 g/mol
Exact Mass452.09
IUPAC Name2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride
SMILESCl.O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C21H21ClN2O5.ClH/c22-15-5-3-14(4-6-15)18-17(19(25)16-2-1-11-29-16)20(26)21(27)24(18)8-7-23-9-12-28-13-10-23;/h1-6,11,18,26H,7-10,12-13H2;1H
InChIKeyNZKPTMQDIACLHK-UHFFFAOYSA-N
XLogP3.27
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2907901
3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 3146487
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 1155121
(2R)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 1155672
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793342
2-(3-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 75793344
3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 3770617
2-(4-butoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 3481015
(2R)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1155191
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 108600418
2-(4-chlorophenyl)-1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108694911
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
CID 28532431

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride (CID 163330118) is 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride is Cl.O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride?
The InChIKey is NZKPTMQDIACLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O5.ClH/c22-15-5-3-14(4-6-15)18-17(19(25)16-2-1-11-29-16)20(26)21(27)24(18)8-7-23-9-12-28-13-10-23;/h1-6,11,18,26H,7-10,12-13H2;1H.
What are the key properties of 2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride?
2-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride has a molecular weight of 453.32 g/mol, XLogP of 3.27, 6 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-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one;hydrochloride is sourced from PubChem (CID 163330118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).