4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione

C20H12ClN3O2S — CID 135886706

IUPAC4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione
SMILESO=C1Cn2c(c(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)c3ccccc32)N1
InChIInChI=1S/C20H12ClN3O2S/c21-12-7-5-11(6-8-12)14-10-27-20(22-14)17-18(26)13-3-1-2-4-15(13)24-9-16(25)23-19(17)24/h1-8,10H,9H2,(H,23,25)
InChIKeyMWMFVVQKBHEWPX-UHFFFAOYSA-N
MW393.86 g/mol
LogP4.40
Rot. Bonds2

About 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione (PubChem CID 135886706) has the molecular formula C20H12ClN3O2S and a molecular weight of 393.86 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione
PubChem CID135886706
Molecular FormulaC20H12ClN3O2S
Molecular Weight393.86 g/mol
Exact Mass393.03
IUPAC Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione
SMILESO=C1Cn2c(c(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)c3ccccc32)N1
InChIInChI=1S/C20H12ClN3O2S/c21-12-7-5-11(6-8-12)14-10-27-20(22-14)17-18(26)13-3-1-2-4-15(13)24-9-16(25)23-19(17)24/h1-8,10H,9H2,(H,23,25)
InChIKeyMWMFVVQKBHEWPX-UHFFFAOYSA-N
XLogP4.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.86
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione?
The IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione (CID 135886706) is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione?
The canonical SMILES for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione is O=C1Cn2c(c(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)c3ccccc32)N1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione?
The InChIKey is MWMFVVQKBHEWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN3O2S/c21-12-7-5-11(6-8-12)14-10-27-20(22-14)17-18(26)13-3-1-2-4-15(13)24-9-16(25)23-19(17)24/h1-8,10H,9H2,(H,23,25).
What are the key properties of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione?
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione has a molecular weight of 393.86 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-dihydroimidazo[1,2-a]quinoline-2,5-dione is sourced from PubChem (CID 135886706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).