N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide

C22H19ClN4O2S — CID 22716699

IUPACN-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCCn1c(=O)c(-c2csc(NC(C)=O)n2)c(-c2cccc(Cl)c2)c2ccc(C)nc21
InChIInChI=1S/C22H19ClN4O2S/c1-4-27-20-16(9-8-12(2)24-20)18(14-6-5-7-15(23)10-14)19(21(27)29)17-11-30-22(26-17)25-13(3)28/h5-11H,4H2,1-3H3,(H,25,26,28)
InChIKeyWTGUFEQFOPJRFI-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.13
Rot. Bonds4

About N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide

N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 22716699) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID22716699
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC NameN-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCCn1c(=O)c(-c2csc(NC(C)=O)n2)c(-c2cccc(Cl)c2)c2ccc(C)nc21
InChIInChI=1S/C22H19ClN4O2S/c1-4-27-20-16(9-8-12(2)24-20)18(14-6-5-7-15(23)10-14)19(21(27)29)17-11-30-22(26-17)25-13(3)28/h5-11H,4H2,1-3H3,(H,25,26,28)
InChIKeyWTGUFEQFOPJRFI-UHFFFAOYSA-N
XLogP5.13
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one
CID 139890342
3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide
CID 12988026
4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride
CID 22716684
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one
CID 23284488
7-(3-chlorophenyl)-1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 88943318
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one
CID 23284493
6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one
CID 53348929
2-[3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 166850822
1-ethyl-2,3-dioxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-4H-quinoxaline-6-carboxamide
CID 24568998

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide (CID 22716699) is N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide is CCn1c(=O)c(-c2csc(NC(C)=O)n2)c(-c2cccc(Cl)c2)c2ccc(C)nc21.
What is the InChIKey of N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WTGUFEQFOPJRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c1-4-27-20-16(9-8-12(2)24-20)18(14-6-5-7-15(23)10-14)19(21(27)29)17-11-30-22(26-17)25-13(3)28/h5-11H,4H2,1-3H3,(H,25,26,28).
What are the key properties of N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 438.94 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22716699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).