2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

C22H18N4OS — CID 2462581

IUPAC2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H18N4OS/c27-21(26-22-25-18-7-3-4-8-20(18)28-22)16-13-19(14-9-11-23-12-10-14)24-17-6-2-1-5-15(16)17/h1-2,5-6,9-13H,3-4,7-8H2,(H,25,26,27)
InChIKeyFAJJOOSPYDZYFS-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.88
Rot. Bonds3

About 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide

2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide (PubChem CID 2462581) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
PubChem CID2462581
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H18N4OS/c27-21(26-22-25-18-7-3-4-8-20(18)28-22)16-13-19(14-9-11-23-12-10-14)24-17-6-2-1-5-15(16)17/h1-2,5-6,9-13H,3-4,7-8H2,(H,25,26,27)
InChIKeyFAJJOOSPYDZYFS-UHFFFAOYSA-N
XLogP4.88
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide (CID 2462581) is 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is FAJJOOSPYDZYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c27-21(26-22-25-18-7-3-4-8-20(18)28-22)16-13-19(14-9-11-23-12-10-14)24-17-6-2-1-5-15(16)17/h1-2,5-6,9-13H,3-4,7-8H2,(H,25,26,27).
What are the key properties of 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide?
2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2462581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).