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

C20H21NO3 — CID 4078264

IUPAC9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCC(C)c1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1
InChIInChI=1S/C20H21NO3/c1-12(2)13-3-5-14(6-4-13)15-10-20(22)21-17-11-19-18(9-16(15)17)23-7-8-24-19/h3-6,9,11-12,15H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyQCYUHZXMAMTCQW-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.06
Rot. Bonds2

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

9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 4078264) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID4078264
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCC(C)c1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1
InChIInChI=1S/C20H21NO3/c1-12(2)13-3-5-14(6-4-13)15-10-20(22)21-17-11-19-18(9-16(15)17)23-7-8-24-19/h3-6,9,11-12,15H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyQCYUHZXMAMTCQW-UHFFFAOYSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(4-propan-2-ylphenyl)-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
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
(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 2176119
Tetra-hydro-isoquinoline derivative 2
CID 46829772
Tetra-hydro-isoquinoline derivative 4
CID 137652717

Frequently Asked Questions

What is the IUPAC name of 9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 4078264) is 9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is CC(C)c1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1.
What is the InChIKey of 9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is QCYUHZXMAMTCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-12(2)13-3-5-14(6-4-13)15-10-20(22)21-17-11-19-18(9-16(15)17)23-7-8-24-19/h3-6,9,11-12,15H,7-8,10H2,1-2H3,(H,21,22).
What are the key properties of 9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 323.39 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-propan-2-ylphenyl)-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 4078264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).