N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide

C24H16ClN3O3S — CID 2100834

IUPACN-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nc(COc2ccc(Cl)cc2)cs1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C24H16ClN3O3S/c25-15-7-9-17(10-8-15)31-13-16-14-32-24(26-16)28-23(29)19-12-21(22-6-3-11-30-22)27-20-5-2-1-4-18(19)20/h1-12,14H,13H2,(H,26,28,29)
InChIKeyNSYBQGUKIIFQJC-UHFFFAOYSA-N
MW461.93 g/mol
LogP6.44
Rot. Bonds6

About N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide

N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 2100834) has the molecular formula C24H16ClN3O3S and a molecular weight of 461.93 g/mol. Its IUPAC name is N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID2100834
Molecular FormulaC24H16ClN3O3S
Molecular Weight461.93 g/mol
Exact Mass461.06
IUPAC NameN-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nc(COc2ccc(Cl)cc2)cs1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C24H16ClN3O3S/c25-15-7-9-17(10-8-15)31-13-16-14-32-24(26-16)28-23(29)19-12-21(22-6-3-11-30-22)27-20-5-2-1-4-18(19)20/h1-12,14H,13H2,(H,26,28,29)
InChIKeyNSYBQGUKIIFQJC-UHFFFAOYSA-N
XLogP6.44
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.93
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 167925938
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
2-(furan-2-yl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4197636
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4617193
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
N-(3-chloro-4-methoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2361920
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
CID 69058488
ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1222332
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide (CID 2100834) is N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide is O=C(Nc1nc(COc2ccc(Cl)cc2)cs1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is NSYBQGUKIIFQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN3O3S/c25-15-7-9-17(10-8-15)31-13-16-14-32-24(26-16)28-23(29)19-12-21(22-6-3-11-30-22)27-20-5-2-1-4-18(19)20/h1-12,14H,13H2,(H,26,28,29).
What are the key properties of N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide?
N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 461.93 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2100834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).