N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide

C23H18N4OS — CID 24562986

IUPACN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)cc2c1
InChIInChI=1S/C23H18N4OS/c1-13-7-8-19-15(9-13)10-17(14(2)25-19)22(28)27-23-26-21(12-29-23)18-11-24-20-6-4-3-5-16(18)20/h3-12,24H,1-2H3,(H,26,27,28)
InChIKeyFCPADRFYLWWKRT-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.71
Rot. Bonds3

About N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide (PubChem CID 24562986) has the molecular formula C23H18N4OS and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide
PubChem CID24562986
Molecular FormulaC23H18N4OS
Molecular Weight398.49 g/mol
Exact Mass398.12
IUPAC NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)cc2c1
InChIInChI=1S/C23H18N4OS/c1-13-7-8-19-15(9-13)10-17(14(2)25-19)22(28)27-23-26-21(12-29-23)18-11-24-20-6-4-3-5-16(18)20/h3-12,24H,1-2H3,(H,26,27,28)
InChIKeyFCPADRFYLWWKRT-UHFFFAOYSA-N
XLogP5.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 55413859
3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
CID 167861370
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methyl-3-nitrobenzamide
CID 26208885
N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide
CID 47093054
2,6-dimethyl-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-3-carboxamide
CID 24563011
4-(2,5-dimethylthiophen-3-yl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-oxobutanamide
CID 55467708
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 8839544
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
(2R)-2-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 31510372
6-methoxy-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 33076097
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 55341188

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide (CID 24562986) is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)cc2c1.
What is the InChIKey of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is FCPADRFYLWWKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS/c1-13-7-8-19-15(9-13)10-17(14(2)25-19)22(28)27-23-26-21(12-29-23)18-11-24-20-6-4-3-5-16(18)20/h3-12,24H,1-2H3,(H,26,27,28).
What are the key properties of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide?
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 5.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 24562986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).