2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide

C21H19ClN2O4 — CID 110326177

IUPAC2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1cc2cc3c(cc2[nH]c1=O)OCCO3
InChIInChI=1S/C21H19ClN2O4/c22-16-3-1-13(2-4-16)9-20(25)23-6-5-14-10-15-11-18-19(28-8-7-27-18)12-17(15)24-21(14)26/h1-4,10-12H,5-9H2,(H,23,25)(H,24,26)
InChIKeyWOTIZCBUIJJKOZ-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.85
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide

2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide (PubChem CID 110326177) has the molecular formula C21H19ClN2O4 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide
PubChem CID110326177
Molecular FormulaC21H19ClN2O4
Molecular Weight398.85 g/mol
Exact Mass398.10
IUPAC Name2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCc1cc2cc3c(cc2[nH]c1=O)OCCO3
InChIInChI=1S/C21H19ClN2O4/c22-16-3-1-13(2-4-16)9-20(25)23-6-5-14-10-15-11-18-19(28-8-7-27-18)12-17(15)24-21(14)26/h1-4,10-12H,5-9H2,(H,23,25)(H,24,26)
InChIKeyWOTIZCBUIJJKOZ-UHFFFAOYSA-N
XLogP2.85
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]propanamide
CID 110326153
N-[(4-chlorophenyl)methyl]-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]acetamide
CID 1467358
3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)-N-(3-phenylpropyl)propanamide
CID 110331396
N-(3-methoxypropyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331364
2-(4-chlorophenyl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110326206
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110609224
4-(4-chlorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110413628
N-[(2-methylphenyl)methyl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331375
3-(4-chlorophenyl)-1-cyclopentyl-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]urea
CID 1437412
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326133
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110370702

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide (CID 110326177) is 2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCc1cc2cc3c(cc2[nH]c1=O)OCCO3.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide?
The InChIKey is WOTIZCBUIJJKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4/c22-16-3-1-13(2-4-16)9-20(25)23-6-5-14-10-15-11-18-19(28-8-7-27-18)12-17(15)24-21(14)26/h1-4,10-12H,5-9H2,(H,23,25)(H,24,26).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide has a molecular weight of 398.85 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)ethyl]acetamide is sourced from PubChem (CID 110326177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).