4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline

C21H15NOS — CID 118719751

IUPAC4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline
SMILESc1csc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2CC3)c1
InChIInChI=1S/C21H15NOS/c1-2-5-16-14(4-1)7-8-17-18(15-9-10-23-13-15)12-19(22-21(16)17)20-6-3-11-24-20/h1-6,9-13H,7-8H2
InChIKeyNILYFXZXEKINHV-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.84
Rot. Bonds2

About 4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline

4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline (PubChem CID 118719751) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline.

Molecular Properties

Compound Name4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline
PubChem CID118719751
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline
SMILESc1csc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2CC3)c1
InChIInChI=1S/C21H15NOS/c1-2-5-16-14(4-1)7-8-17-18(15-9-10-23-13-15)12-19(22-21(16)17)20-6-3-11-24-20/h1-6,9-13H,7-8H2
InChIKeyNILYFXZXEKINHV-UHFFFAOYSA-N
XLogP5.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline?
The IUPAC name of 4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline (CID 118719751) is 4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline.
What is the SMILES notation for 4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline?
The canonical SMILES for 4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline is c1csc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2CC3)c1.
What is the InChIKey of 4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline?
The InChIKey is NILYFXZXEKINHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c1-2-5-16-14(4-1)7-8-17-18(15-9-10-23-13-15)12-19(22-21(16)17)20-6-3-11-24-20/h1-6,9-13H,7-8H2.
What are the key properties of 4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline?
4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline has a molecular weight of 329.42 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-2-thiophen-2-yl-5,6-dihydrobenzo[h]quinoline is sourced from PubChem (CID 118719751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).