3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one

C19H21ClN4OS — CID 127052246

IUPAC3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one
SMILESCCn1cc(-c2csc(N)n2)c(=O)c2cc(N3CCCCC3)c(Cl)cc21
InChIInChI=1S/C19H21ClN4OS/c1-2-23-10-13(15-11-26-19(21)22-15)18(25)12-8-17(14(20)9-16(12)23)24-6-4-3-5-7-24/h8-11H,2-7H2,1H3,(H2,21,22)
InChIKeyPWOYJCXTMKSDNJ-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.37
Rot. Bonds3

About 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one

3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one (PubChem CID 127052246) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one
PubChem CID127052246
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one
SMILESCCn1cc(-c2csc(N)n2)c(=O)c2cc(N3CCCCC3)c(Cl)cc21
InChIInChI=1S/C19H21ClN4OS/c1-2-23-10-13(15-11-26-19(21)22-15)18(25)12-8-17(14(20)9-16(12)23)24-6-4-3-5-7-24/h8-11H,2-7H2,1H3,(H2,21,22)
InChIKeyPWOYJCXTMKSDNJ-UHFFFAOYSA-N
XLogP4.37
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one (CID 127052246) is 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one is CCn1cc(-c2csc(N)n2)c(=O)c2cc(N3CCCCC3)c(Cl)cc21.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one?
The InChIKey is PWOYJCXTMKSDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-2-23-10-13(15-11-26-19(21)22-15)18(25)12-8-17(14(20)9-16(12)23)24-6-4-3-5-7-24/h8-11H,2-7H2,1H3,(H2,21,22).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one?
3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one has a molecular weight of 388.92 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-7-chloro-1-ethyl-6-piperidin-1-ylquinolin-4-one is sourced from PubChem (CID 127052246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).