2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one

C125H110N6O15S3 — CID 158434305

IUPAC2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one
SMILESCCCOc1cc2ccccc2c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12.CCCOc1cc2ccccc2c2c(=O)c(-c3cccs3)c[nH]c12.CCCOc1cc2ccccc2c2c(=O)c(-c3cccs3)cn(C)c12.CCCOc1cc2ccccc2c2c(=O)c(-c3ccoc3)c[nH]c12.CCCOc1cc2ccccc2c2c(=O)c(-c3ccoc3)cn(C)c12.CCCOc1cc2ccccc2c2c(=O)c(-c3ccsc3)c[nH]c12
InChIInChI=1S/C23H21NO3.C21H19NO3.C21H19NO2S.C20H17NO3.2C20H17NO2S/c1-3-12-27-20-13-16-6-4-5-7-18(16)21-22(20)24-14-19(23(21)25)15-8-10-17(26-2)11-9-15;1-3-9-25-18-11-14-6-4-5-7-16(14)19-20(18)22(2)12-17(21(19)23)15-8-10-24-13-15;1-3-10-24-17-12-14-7-4-5-8-15(14)19-20(17)22(2)13-16(21(19)23)18-9-6-11-25-18;1-2-8-24-17-10-13-5-3-4-6-15(13)18-19(17)21-11-16(20(18)22)14-7-9-23-12-14;1-2-9-23-16-11-13-6-3-4-7-14(13)18-19(16)21-12-15(20(18)22)17-8-5-10-24-17;1-2-8-23-17-10-13-5-3-4-6-15(13)18-19(17)21-11-16(20(18)22)14-7-9-24-12-14/h4-11,13-14H,3,12H2,1-2H3,(H,24,25);4-8,10-13H,3,9H2,1-2H3;4-9,11-13H,3,10H2,1-2H3;3-7,9-12H,2,8H2,1H3,(H,21,22);3-8,10-12H,2,9H2,1H3,(H,21,22);3-7,9-12H,2,8H2,1H3,(H,21,22)
InChIKeyHCAQLWWNHUXWTC-UHFFFAOYSA-N
MW2032.48 g/mol
LogP30.22
Rot. Bonds25

About 2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one

2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one (PubChem CID 158434305) has the molecular formula C125H110N6O15S3 and a molecular weight of 2032.48 g/mol. Its IUPAC name is 2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one.

Molecular Properties

Compound Name2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one
PubChem CID158434305
Molecular FormulaC125H110N6O15S3
Molecular Weight2032.48 g/mol
Exact Mass2030.72
IUPAC Name2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one
SMILESCCCOc1cc2ccccc2c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12.CCCOc1cc2ccccc2c2c(=O)c(-c3cccs3)c[nH]c12.CCCOc1cc2ccccc2c2c(=O)c(-c3cccs3)cn(C)c12.CCCOc1cc2ccccc2c2c(=O)c(-c3ccoc3)c[nH]c12.CCCOc1cc2ccccc2c2c(=O)c(-c3ccoc3)cn(C)c12.CCCOc1cc2ccccc2c2c(=O)c(-c3ccsc3)c[nH]c12
InChIInChI=1S/C23H21NO3.C21H19NO3.C21H19NO2S.C20H17NO3.2C20H17NO2S/c1-3-12-27-20-13-16-6-4-5-7-18(16)21-22(20)24-14-19(23(21)25)15-8-10-17(26-2)11-9-15;1-3-9-25-18-11-14-6-4-5-7-16(14)19-20(18)22(2)12-17(21(19)23)15-8-10-24-13-15;1-3-10-24-17-12-14-7-4-5-8-15(14)19-20(17)22(2)13-16(21(19)23)18-9-6-11-25-18;1-2-8-24-17-10-13-5-3-4-6-15(13)18-19(17)21-11-16(20(18)22)14-7-9-23-12-14;1-2-9-23-16-11-13-6-3-4-7-14(13)18-19(16)21-12-15(20(18)22)17-8-5-10-24-17;1-2-8-23-17-10-13-5-3-4-6-15(13)18-19(17)21-11-16(20(18)22)14-7-9-24-12-14/h4-11,13-14H,3,12H2,1-2H3,(H,24,25);4-8,10-13H,3,9H2,1-2H3;4-9,11-13H,3,10H2,1-2H3;3-7,9-12H,2,8H2,1H3,(H,21,22);3-8,10-12H,2,9H2,1H3,(H,21,22);3-7,9-12H,2,8H2,1H3,(H,21,22)
InChIKeyHCAQLWWNHUXWTC-UHFFFAOYSA-N
XLogP30.22
TPSA266.33 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.48
LogP ≤ 530.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one?
The IUPAC name of 2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one (CID 158434305) is 2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one.
What is the SMILES notation for 2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one?
The canonical SMILES for 2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one is CCCOc1cc2ccccc2c2c(=O)c(-c3ccc(OC)cc3)c[nH]c12.CCCOc1cc2ccccc2c2c(=O)c(-c3cccs3)c[nH]c12.CCCOc1cc2ccccc2c2c(=O)c(-c3cccs3)cn(C)c12.CCCOc1cc2ccccc2c2c(=O)c(-c3ccoc3)c[nH]c12.CCCOc1cc2ccccc2c2c(=O)c(-c3ccoc3)cn(C)c12.CCCOc1cc2ccccc2c2c(=O)c(-c3ccsc3)c[nH]c12.
What is the InChIKey of 2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one?
The InChIKey is HCAQLWWNHUXWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3.C21H19NO3.C21H19NO2S.C20H17NO3.2C20H17NO2S/c1-3-12-27-20-13-16-6-4-5-7-18(16)21-22(20)24-14-19(23(21)25)15-8-10-17(26-2)11-9-15;1-3-9-25-18-11-14-6-4-5-7-16(14)19-20(18)22(2)12-17(21(19)23)15-8-10-24-13-15;1-3-10-24-17-12-14-7-4-5-8-15(14)19-20(17)22(2)13-16(21(19)23)18-9-6-11-25-18;1-2-8-24-17-10-13-5-3-4-6-15(13)18-19(17)21-11-16(20(18)22)14-7-9-23-12-14;1-2-9-23-16-11-13-6-3-4-7-14(13)18-19(16)21-12-15(20(18)22)17-8-5-10-24-17;1-2-8-23-17-10-13-5-3-4-6-15(13)18-19(17)21-11-16(20(18)22)14-7-9-24-12-14/h4-11,13-14H,3,12H2,1-2H3,(H,24,25);4-8,10-13H,3,9H2,1-2H3;4-9,11-13H,3,10H2,1-2H3;3-7,9-12H,2,8H2,1H3,(H,21,22);3-8,10-12H,2,9H2,1H3,(H,21,22);3-7,9-12H,2,8H2,1H3,(H,21,22).
What are the key properties of 2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one?
2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one has a molecular weight of 2032.48 g/mol, XLogP of 30.22, 25 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one is sourced from PubChem (CID 158434305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).