8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one

C21H24ClN3O3S — CID 58289492

IUPAC8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
SMILESCC(C)c1csc(-c2cc(=O)c3ccc(OCCN4CCOCC4)c(Cl)c3[nH]2)n1
InChIInChI=1S/C21H24ClN3O3S/c1-13(2)16-12-29-21(24-16)15-11-17(26)14-3-4-18(19(22)20(14)23-15)28-10-7-25-5-8-27-9-6-25/h3-4,11-13H,5-10H2,1-2H3,(H,23,26)
InChIKeySLTBKMQSXJIWTQ-UHFFFAOYSA-N
MW433.96 g/mol
LogP4.14
Rot. Bonds6

About 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one

8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one (PubChem CID 58289492) has the molecular formula C21H24ClN3O3S and a molecular weight of 433.96 g/mol. Its IUPAC name is 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
PubChem CID58289492
Molecular FormulaC21H24ClN3O3S
Molecular Weight433.96 g/mol
Exact Mass433.12
IUPAC Name8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one
SMILESCC(C)c1csc(-c2cc(=O)c3ccc(OCCN4CCOCC4)c(Cl)c3[nH]2)n1
InChIInChI=1S/C21H24ClN3O3S/c1-13(2)16-12-29-21(24-16)15-11-17(26)14-3-4-18(19(22)20(14)23-15)28-10-7-25-5-8-27-9-6-25/h3-4,11-13H,5-10H2,1-2H3,(H,23,26)
InChIKeySLTBKMQSXJIWTQ-UHFFFAOYSA-N
XLogP4.14
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
The IUPAC name of 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one (CID 58289492) is 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one is CC(C)c1csc(-c2cc(=O)c3ccc(OCCN4CCOCC4)c(Cl)c3[nH]2)n1.
What is the InChIKey of 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
The InChIKey is SLTBKMQSXJIWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3S/c1-13(2)16-12-29-21(24-16)15-11-17(26)14-3-4-18(19(22)20(14)23-15)28-10-7-25-5-8-27-9-6-25/h3-4,11-13H,5-10H2,1-2H3,(H,23,26).
What are the key properties of 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one?
8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one has a molecular weight of 433.96 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-(2-morpholin-4-ylethoxy)-2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-quinolin-4-one is sourced from PubChem (CID 58289492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).