N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide

C20H17FN2O3S — CID 1171958

IUPACN-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
SMILESCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(F)cc1)OCCO3
InChIInChI=1S/C20H17FN2O3S/c1-12-8-13-9-17-18(26-7-6-25-17)10-16(13)23-20(12)27-11-19(24)22-15-4-2-14(21)3-5-15/h2-5,8-10H,6-7,11H2,1H3,(H,22,24)
InChIKeyJDPCDTOPTGZJTJ-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.18
Rot. Bonds4

About N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide

N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide (PubChem CID 1171958) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
PubChem CID1171958
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC NameN-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
SMILESCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(F)cc1)OCCO3
InChIInChI=1S/C20H17FN2O3S/c1-12-8-13-9-17-18(26-7-6-25-17)10-16(13)23-20(12)27-11-19(24)22-15-4-2-14(21)3-5-15/h2-5,8-10H,6-7,11H2,1H3,(H,22,24)
InChIKeyJDPCDTOPTGZJTJ-UHFFFAOYSA-N
XLogP4.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide with MolForge

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Related Compounds

2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 1176255
N-benzyl-N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
CID 1176256
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1173508
2-(6-ethoxy-3-methylquinolin-2-yl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 1143750
2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 1171997
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 1134561
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(4-fluorophenyl)acetamide
CID 7458007
2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 3208272
2-[(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 3208331
N-(2-ethoxyphenyl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 1173474
N-[4-[[2-[(3-methyl-7,8-dihydro-6H-cyclopenta[g]quinolin-2-yl)sulfanyl]acetyl]amino]phenyl]propanamide
CID 1440378
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 1176252

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide (CID 1171958) is N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide is Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc(F)cc1)OCCO3.
What is the InChIKey of N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide?
The InChIKey is JDPCDTOPTGZJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-12-8-13-9-17-18(26-7-6-25-17)10-16(13)23-20(12)27-11-19(24)22-15-4-2-14(21)3-5-15/h2-5,8-10H,6-7,11H2,1H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide has a molecular weight of 384.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide is sourced from PubChem (CID 1171958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).