N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide

C18H20ClN3OS — CID 24968504

IUPACN-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide
SMILESCCCCN1CC(C)S/C1=N\C(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C18H20ClN3OS/c1-3-4-8-22-11-12(2)24-18(22)21-17(23)15-10-14(19)9-13-6-5-7-20-16(13)15/h5-7,9-10,12H,3-4,8,11H2,1-2H3/b21-18-
InChIKeyJTNCPOFLGVELFG-UZYVYHOESA-N
MW361.90 g/mol
LogP4.62
Rot. Bonds4

About N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide

N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide (PubChem CID 24968504) has the molecular formula C18H20ClN3OS and a molecular weight of 361.90 g/mol. Its IUPAC name is N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide
PubChem CID24968504
Molecular FormulaC18H20ClN3OS
Molecular Weight361.90 g/mol
Exact Mass361.10
IUPAC NameN-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide
SMILESCCCCN1CC(C)S/C1=N\C(=O)c1cc(Cl)cc2cccnc12
InChIInChI=1S/C18H20ClN3OS/c1-3-4-8-22-11-12(2)24-18(22)21-17(23)15-10-14(19)9-13-6-5-7-20-16(13)15/h5-7,9-10,12H,3-4,8,11H2,1-2H3/b21-18-
InChIKeyJTNCPOFLGVELFG-UZYVYHOESA-N
XLogP4.62
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide?
The IUPAC name of N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide (CID 24968504) is N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide.
What is the SMILES notation for N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide?
The canonical SMILES for N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide is CCCCN1CC(C)S/C1=N\C(=O)c1cc(Cl)cc2cccnc12.
What is the InChIKey of N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide?
The InChIKey is JTNCPOFLGVELFG-UZYVYHOESA-N. The full InChI is InChI=1S/C18H20ClN3OS/c1-3-4-8-22-11-12(2)24-18(22)21-17(23)15-10-14(19)9-13-6-5-7-20-16(13)15/h5-7,9-10,12H,3-4,8,11H2,1-2H3/b21-18-.
What are the key properties of N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide?
N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide has a molecular weight of 361.90 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-5-methyl-1,3-thiazolidin-2-ylidene)-6-chloroquinoline-8-carboxamide is sourced from PubChem (CID 24968504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).