2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C22H22FN3O5S — CID 43833144

IUPAC2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1cc(=O)c2cccc(F)c2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H22FN3O5S/c1-15-13-20(27)18-3-2-4-19(23)22(18)26(15)14-21(28)24-16-5-7-17(8-6-16)32(29,30)25-9-11-31-12-10-25/h2-8,13H,9-12,14H2,1H3,(H,24,28)
InChIKeyHUOARARKDMBYGG-UHFFFAOYSA-N
MW459.50 g/mol
LogP2.11
Rot. Bonds5

About 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 43833144) has the molecular formula C22H22FN3O5S and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID43833144
Molecular FormulaC22H22FN3O5S
Molecular Weight459.50 g/mol
Exact Mass459.13
IUPAC Name2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCc1cc(=O)c2cccc(F)c2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H22FN3O5S/c1-15-13-20(27)18-3-2-4-19(23)22(18)26(15)14-21(28)24-16-5-7-17(8-6-16)32(29,30)25-9-11-31-12-10-25/h2-8,13H,9-12,14H2,1H3,(H,24,28)
InChIKeyHUOARARKDMBYGG-UHFFFAOYSA-N
XLogP2.11
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 108806474
2-(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 71852875
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-pyridin-2-ylacetamide
CID 43832728
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 19519155
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417047
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
2-(butan-2-ylamino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4671972
methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
CID 30766141

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 43833144) is 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is Cc1cc(=O)c2cccc(F)c2n1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is HUOARARKDMBYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O5S/c1-15-13-20(27)18-3-2-4-19(23)22(18)26(15)14-21(28)24-16-5-7-17(8-6-16)32(29,30)25-9-11-31-12-10-25/h2-8,13H,9-12,14H2,1H3,(H,24,28).
What are the key properties of 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 459.50 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 43833144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).