N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide

C22H14N4OS — CID 168925353

IUPACN-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
SMILESO=C(Nc1ncc(-c2ccc3cnccc3c2)s1)c1cnc2ccccc2c1
InChIInChI=1S/C22H14N4OS/c27-21(18-10-15-3-1-2-4-19(15)24-12-18)26-22-25-13-20(28-22)16-5-6-17-11-23-8-7-14(17)9-16/h1-13H,(H,25,26,27)
InChIKeyZDCFFYXWSKACGO-UHFFFAOYSA-N
MW382.45 g/mol
LogP5.16
Rot. Bonds3

About N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide

N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide (PubChem CID 168925353) has the molecular formula C22H14N4OS and a molecular weight of 382.45 g/mol. Its IUPAC name is N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
PubChem CID168925353
Molecular FormulaC22H14N4OS
Molecular Weight382.45 g/mol
Exact Mass382.09
IUPAC NameN-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
SMILESO=C(Nc1ncc(-c2ccc3cnccc3c2)s1)c1cnc2ccccc2c1
InChIInChI=1S/C22H14N4OS/c27-21(18-10-15-3-1-2-4-19(15)24-12-18)26-22-25-13-20(28-22)16-5-6-17-11-23-8-7-14(17)9-16/h1-13H,(H,25,26,27)
InChIKeyZDCFFYXWSKACGO-UHFFFAOYSA-N
XLogP5.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 168925799
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
CID 110485084
N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-6-carboxamide
CID 110485085
N-(4-hydroxyphenyl)quinoline-3-carboxamide
CID 110489513
N-quinoxalin-2-ylquinoline-3-carboxamide
CID 11522282
1-methyl-N-[5-(1,7-naphthyridin-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 168925803
N-(2-iodophenyl)quinoline-3-carboxamide
CID 139568501
3-chloro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033062
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
6-naphthalen-2-ylisoquinoline
CID 59724414

Frequently Asked Questions

What is the IUPAC name of N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide?
The IUPAC name of N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide (CID 168925353) is N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide?
The canonical SMILES for N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide is O=C(Nc1ncc(-c2ccc3cnccc3c2)s1)c1cnc2ccccc2c1.
What is the InChIKey of N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide?
The InChIKey is ZDCFFYXWSKACGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4OS/c27-21(18-10-15-3-1-2-4-19(15)24-12-18)26-22-25-13-20(28-22)16-5-6-17-11-23-8-7-14(17)9-16/h1-13H,(H,25,26,27).
What are the key properties of N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide?
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 168925353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).