9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C18H17NO3 — CID 2956684

IUPAC9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1
InChIInChI=1S/C18H17NO3/c1-11-2-4-12(5-3-11)13-9-18(20)19-15-10-17-16(8-14(13)15)21-6-7-22-17/h2-5,8,10,13H,6-7,9H2,1H3,(H,19,20)
InChIKeyGWGHHWYZOOPMJD-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.24
Rot. Bonds1

About 9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 2956684) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID2956684
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1
InChIInChI=1S/C18H17NO3/c1-11-2-4-12(5-3-11)13-9-18(20)19-15-10-17-16(8-14(13)15)21-6-7-22-17/h2-5,8,10,13H,6-7,9H2,1H3,(H,19,20)
InChIKeyGWGHHWYZOOPMJD-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one with MolForge

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Related Compounds

Amg-9810
CID 680502
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 3240990
Tetra-hydro-isoquinoline derivative 3
CID 137653313
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
9-(2-methoxyphenyl)-2,3,8,9-tetrahydro[1,4]dioxino[2,3-g]quinolin-7(6H)-one
CID 2943604
8-(2-ethoxyphenyl)-7,8-dihydro-(1,3)dioxolo(4,5-g)quinolin-6(5H)-one
CID 656346
CeMMEC13
CID 110694558
3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propenamide
CID 680501
(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 2176119

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 2956684) is 9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is Cc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1.
What is the InChIKey of 9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is GWGHHWYZOOPMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-2-4-12(5-3-11)13-9-18(20)19-15-10-17-16(8-14(13)15)21-6-7-22-17/h2-5,8,10,13H,6-7,9H2,1H3,(H,19,20).
What are the key properties of 9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 295.34 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 2956684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).