4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline

C23H16N2OS — CID 141049698

IUPAC4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline
SMILESc1ccc(Sc2nc3ccccc3c(-c3ccco3)c2-c2ccc[nH]2)cc1
InChIInChI=1S/C23H16N2OS/c1-2-8-16(9-3-1)27-23-22(19-12-6-14-24-19)21(20-13-7-15-26-20)17-10-4-5-11-18(17)25-23/h1-15,24H
InChIKeyUDKNGXFVKGDUGA-UHFFFAOYSA-N
MW368.46 g/mol
LogP6.64
Rot. Bonds4

About 4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline

4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline (PubChem CID 141049698) has the molecular formula C23H16N2OS and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline.

Molecular Properties

Compound Name4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline
PubChem CID141049698
Molecular FormulaC23H16N2OS
Molecular Weight368.46 g/mol
Exact Mass368.10
IUPAC Name4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline
SMILESc1ccc(Sc2nc3ccccc3c(-c3ccco3)c2-c2ccc[nH]2)cc1
InChIInChI=1S/C23H16N2OS/c1-2-8-16(9-3-1)27-23-22(19-12-6-14-24-19)21(20-13-7-15-26-20)17-10-4-5-11-18(17)25-23/h1-15,24H
InChIKeyUDKNGXFVKGDUGA-UHFFFAOYSA-N
XLogP6.64
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-(2-(benzofuran-3-yl)ethyl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 11416598
(5-Benzyloxy-1H-indol-3-yl)-((R)-2-pyridin-3-yl-thiazolidin-4-yl)-methanone
CID 9979249
4-(2-Furan-3-yl-5-phenyl-1H-pyrrol-3-yl)-pyridine
CID 44324117
3-[furan-2-yl(1H-indol-3-yl)methyl]-1H-indole
CID 11370382
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
7-(furan-2-yl)-N-phenylquinolin-4-amine
CID 137658137
4-(1-benzofuran-2-yl)-2-(1H-indol-3-yl)-2,3-dihydro-1,5-benzothiazepine
CID 145963209
2-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridine
CID 22951111
3-[[4-[2-(furan-2-yl)ethyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1H-indole
CID 23370147
2-[(4-Ethoxyphenyl)sulfanyl]-N-[(pyridin-3-YL)methyl]quinoline-4-carboxamide
CID 4074986
2-[(4-Ethoxyphenyl)sulfanyl]-N-[(pyridin-2-YL)methyl]quinoline-4-carboxamide
CID 4075079
N-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 27375648

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline?
The IUPAC name of 4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline (CID 141049698) is 4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline.
What is the SMILES notation for 4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline?
The canonical SMILES for 4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline is c1ccc(Sc2nc3ccccc3c(-c3ccco3)c2-c2ccc[nH]2)cc1.
What is the InChIKey of 4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline?
The InChIKey is UDKNGXFVKGDUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2OS/c1-2-8-16(9-3-1)27-23-22(19-12-6-14-24-19)21(20-13-7-15-26-20)17-10-4-5-11-18(17)25-23/h1-15,24H.
What are the key properties of 4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline?
4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline has a molecular weight of 368.46 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-phenylsulfanyl-3-(1H-pyrrol-2-yl)quinoline is sourced from PubChem (CID 141049698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).