2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine

C25H15N3OS — CID 23156595

IUPAC2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine
SMILESc1cnc2nc(-c3csc4ccccc34)c(Oc3ccnc4ccccc34)cc2c1
InChIInChI=1S/C25H15N3OS/c1-3-9-20-18(8-1)21(11-13-26-20)29-22-14-16-6-5-12-27-25(16)28-24(22)19-15-30-23-10-4-2-7-17(19)23/h1-15H
InChIKeyVTILPBIDDPUSIW-UHFFFAOYSA-N
MW405.48 g/mol
LogP6.85
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine

2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine (PubChem CID 23156595) has the molecular formula C25H15N3OS and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine
PubChem CID23156595
Molecular FormulaC25H15N3OS
Molecular Weight405.48 g/mol
Exact Mass405.09
IUPAC Name2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine
SMILESc1cnc2nc(-c3csc4ccccc34)c(Oc3ccnc4ccccc34)cc2c1
InChIInChI=1S/C25H15N3OS/c1-3-9-20-18(8-1)21(11-13-26-20)29-22-14-16-6-5-12-27-25(16)28-24(22)19-15-30-23-10-4-2-7-17(19)23/h1-15H
InChIKeyVTILPBIDDPUSIW-UHFFFAOYSA-N
XLogP6.85
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine (CID 23156595) is 2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine is c1cnc2nc(-c3csc4ccccc34)c(Oc3ccnc4ccccc34)cc2c1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine?
The InChIKey is VTILPBIDDPUSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3OS/c1-3-9-20-18(8-1)21(11-13-26-20)29-22-14-16-6-5-12-27-25(16)28-24(22)19-15-30-23-10-4-2-7-17(19)23/h1-15H.
What are the key properties of 2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine?
2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine has a molecular weight of 405.48 g/mol, XLogP of 6.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-3-quinolin-4-yloxy-1,8-naphthyridine is sourced from PubChem (CID 23156595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).