N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C23H25N5O4S — CID 135221781

About N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 135221781) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
• PubChem CID: 135221781
• Molecular Formula: C23H25N5O4S
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.16
• IUPAC Name: N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
• SMILES: Cc1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4CCC(=O)N(C)C)cs2)o1
• InChI: InChI=1S/C23H25N5O4S/c1-13-21(32-14(2)24-13)22(31)26-23-25-17(12-33-23)15-5-7-18-16(11-15)6-8-20(30)28(18)10-9-19(29)27(3)4/h5,7,11-12H,6,8-10H2,1-4H3,(H,25,26,31)
• InChIKey: KVKCMJRJPHSACR-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 108.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 135221781) is N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4CCC(=O)N(C)C)cs2)o1.

What is the InChIKey of N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?

The InChIKey is KVKCMJRJPHSACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-13-21(32-14(2)24-13)22(31)26-23-25-17(12-33-23)15-5-7-18-16(11-15)6-8-20(30)28(18)10-9-19(29)27(3)4/h5,7,11-12H,6,8-10H2,1-4H3,(H,25,26,31).

What are the key properties of N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?

N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-[3-(dimethylamino)-3-oxopropyl]-2-oxo-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 135221781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).