6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline

C12H15NO2 — CID 84620541

IUPAC6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline
SMILESCC1(C)CCc2cc3c(cc2N1)OCO3
InChIInChI=1S/C12H15NO2/c1-12(2)4-3-8-5-10-11(15-7-14-10)6-9(8)13-12/h5-6,13H,3-4,7H2,1-2H3
InChIKeyPTTIFBMKGHKQCG-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.55
Rot. Bonds

About 6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline

6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 84620541) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline
PubChem CID84620541
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline
SMILESCC1(C)CCc2cc3c(cc2N1)OCO3
InChIInChI=1S/C12H15NO2/c1-12(2)4-3-8-5-10-11(15-7-14-10)6-9(8)13-12/h5-6,13H,3-4,7H2,1-2H3
InChIKeyPTTIFBMKGHKQCG-UHFFFAOYSA-N
XLogP2.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-yl)-2-methyl-3,4-dihydro-1H-quinoline
CID 175106521
2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline
CID 175304172
6,6-dimethyl-8,9-dihydro-7H-[1,3]dioxolo[4,5-h][1,5]benzoxazepine
CID 104523658
5-(1,3-benzodioxol-5-ylmethyl)-5-methylpyrrolidin-2-one
CID 104687362
ethyl 2,2-dimethyl-3,4,6,7,9,10-hexahydro-1H-pyrido[2,3-h][3]benzazepine-8-carboxylate
CID 70667145
spiro[5,7-dihydrocyclopenta[f][1,3]benzodioxole-6,4'-piperidine]
CID 166736064
3-(1,3-benzodioxol-5-yl)-3-methylpiperidine
CID 82285836
7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 84623465
5-(1-methylcyclobutyl)-1,3-benzodioxole
CID 130983520
3,3,7-trimethyl-2,4-dihydro-1,4-benzoxazine
CID 84618421
5-methoxy-14,16-dioxa-10-azatetracyclo[9.7.0.03,8.013,17]octadeca-1(18),3(8),4,6,11,13(17)-hexaen-9-one
CID 102431032
3,3-dimethyl-2,4-dihydro-1,4-benzoxazin-6-ol
CID 115095335

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline (CID 84620541) is 6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline is CC1(C)CCc2cc3c(cc2N1)OCO3.
What is the InChIKey of 6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is PTTIFBMKGHKQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2)4-3-8-5-10-11(15-7-14-10)6-9(8)13-12/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of 6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline?
6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 205.26 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 84620541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).