1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine

C22H13N5S — CID 134132267

IUPAC1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine
SMILESc1cnc2ccc(-n3cnc4cnc5cnc(-c6ccsc6)cc5c43)cc2c1
InChIInChI=1S/C22H13N5S/c1-2-14-8-16(3-4-18(14)23-6-1)27-13-26-21-11-25-20-10-24-19(9-17(20)22(21)27)15-5-7-28-12-15/h1-13H
InChIKeyNTHOVVGBWASJDT-UHFFFAOYSA-N
MW379.45 g/mol
LogP5.25
Rot. Bonds2

About 1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine

1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine (PubChem CID 134132267) has the molecular formula C22H13N5S and a molecular weight of 379.45 g/mol. Its IUPAC name is 1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine.

Molecular Properties

Compound Name1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine
PubChem CID134132267
Molecular FormulaC22H13N5S
Molecular Weight379.45 g/mol
Exact Mass379.09
IUPAC Name1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine
SMILESc1cnc2ccc(-n3cnc4cnc5cnc(-c6ccsc6)cc5c43)cc2c1
InChIInChI=1S/C22H13N5S/c1-2-14-8-16(3-4-18(14)23-6-1)27-13-26-21-11-25-20-10-24-19(9-17(20)22(21)27)15-5-7-28-12-15/h1-13H
InChIKeyNTHOVVGBWASJDT-UHFFFAOYSA-N
XLogP5.25
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.45
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine?
The IUPAC name of 1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine (CID 134132267) is 1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine.
What is the SMILES notation for 1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine?
The canonical SMILES for 1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine is c1cnc2ccc(-n3cnc4cnc5cnc(-c6ccsc6)cc5c43)cc2c1.
What is the InChIKey of 1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine?
The InChIKey is NTHOVVGBWASJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N5S/c1-2-14-8-16(3-4-18(14)23-6-1)27-13-26-21-11-25-20-10-24-19(9-17(20)22(21)27)15-5-7-28-12-15/h1-13H.
What are the key properties of 1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine?
1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine has a molecular weight of 379.45 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine is sourced from PubChem (CID 134132267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).