8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C21H21NO5 — CID 50954568

IUPAC8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESC=C(C)COc1c(OC)cccc1C1CC(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C21H21NO5/c1-12(2)10-25-21-13(5-4-6-17(21)24-3)14-8-20(23)22-16-9-19-18(7-15(14)16)26-11-27-19/h4-7,9,14H,1,8,10-11H2,2-3H3,(H,22,23)
InChIKeyOWMGEWWOGVPFLM-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.85
Rot. Bonds5

About 8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 50954568) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID50954568
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESC=C(C)COc1c(OC)cccc1C1CC(=O)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C21H21NO5/c1-12(2)10-25-21-13(5-4-6-17(21)24-3)14-8-20(23)22-16-9-19-18(7-15(14)16)26-11-27-19/h4-7,9,14H,1,8,10-11H2,2-3H3,(H,22,23)
InChIKeyOWMGEWWOGVPFLM-UHFFFAOYSA-N
XLogP3.85
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(8S)-8-(2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 705581
N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 50959115
(8R)-8-[2-(2-methylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 40645352
8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2973010
4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-6,7-dimethyl-3,4-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 128962758
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
4-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
CID 71826674
8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 169413926
8-(3-chloro-4-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 17285471
(8S)-8-(2,5-dimethoxy-4-propan-2-ylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 7393672
(4S)-4-(2,3-dimethoxyphenyl)-1,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-2-one
CID 707503
8-(4-fluoro-2-hydroxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50948929

Frequently Asked Questions

What is the IUPAC name of 8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 50954568) is 8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is C=C(C)COc1c(OC)cccc1C1CC(=O)Nc2cc3c(cc21)OCO3.
What is the InChIKey of 8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is OWMGEWWOGVPFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-12(2)10-25-21-13(5-4-6-17(21)24-3)14-8-20(23)22-16-9-19-18(7-15(14)16)26-11-27-19/h4-7,9,14H,1,8,10-11H2,2-3H3,(H,22,23).
What are the key properties of 8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 367.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 50954568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).