N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide

C25H21Cl2N3O4 — CID 91444771

IUPACN-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide
SMILESO=C(NC(Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC2OCC(=O)C21)c1ccc2ncccc2c1
InChIInChI=1S/C25H21Cl2N3O4/c26-17-5-3-14(10-18(17)27)11-20(25(33)30-9-7-22-23(30)21(31)13-34-22)29-24(32)16-4-6-19-15(12-16)2-1-8-28-19/h1-6,8,10,12,20,22-23H,7,9,11,13H2,(H,29,32)
InChIKeyVTRPLMDSBODQLJ-UHFFFAOYSA-N
MW498.37 g/mol
LogP3.45
Rot. Bonds5

About N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide

N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide (PubChem CID 91444771) has the molecular formula C25H21Cl2N3O4 and a molecular weight of 498.37 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide
PubChem CID91444771
Molecular FormulaC25H21Cl2N3O4
Molecular Weight498.37 g/mol
Exact Mass497.09
IUPAC NameN-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide
SMILESO=C(NC(Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC2OCC(=O)C21)c1ccc2ncccc2c1
InChIInChI=1S/C25H21Cl2N3O4/c26-17-5-3-14(10-18(17)27)11-20(25(33)30-9-7-22-23(30)21(31)13-34-22)29-24(32)16-4-6-19-15(12-16)2-1-8-28-19/h1-6,8,10,12,20,22-23H,7,9,11,13H2,(H,29,32)
InChIKeyVTRPLMDSBODQLJ-UHFFFAOYSA-N
XLogP3.45
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-5-phenylthiophene-2-carboxamide
CID 90958791
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 142154220
N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-pyridin-3-ylpropan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 91067292
N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-pyridin-4-ylpropan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 91227577
N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-1,3-benzothiazole-5-carboxamide
CID 90708780
4-(dimethylamino)-N-[1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3-phenylpropan-2-yl]benzamide
CID 69048928
N-[3-(4-fluorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-6-phenylpyridine-3-carboxamide
CID 69051158
4-tert-butyl-N-[3-(4-methoxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]benzamide
CID 69374920
N-[3-(4-aminophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-tert-butylbenzamide
CID 69374333
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-tert-butylbenzamide;methane;sulfane
CID 158790317
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-3-bromobenzamide
CID 142154198
N-[3-(4-hydroxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-2-phenylacetamide
CID 69327933

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide (CID 91444771) is N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide is O=C(NC(Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC2OCC(=O)C21)c1ccc2ncccc2c1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide?
The InChIKey is VTRPLMDSBODQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3O4/c26-17-5-3-14(10-18(17)27)11-20(25(33)30-9-7-22-23(30)21(31)13-34-22)29-24(32)16-4-6-19-15(12-16)2-1-8-28-19/h1-6,8,10,12,20,22-23H,7,9,11,13H2,(H,29,32).
What are the key properties of N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide?
N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide has a molecular weight of 498.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]quinoline-6-carboxamide is sourced from PubChem (CID 91444771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).