8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile

C16H10N2O2S — CID 71891221

IUPAC8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
SMILESCc1c(C#N)c(-c2ccsc2)nc2cc3c(cc12)OCO3
InChIInChI=1S/C16H10N2O2S/c1-9-11-4-14-15(20-8-19-14)5-13(11)18-16(12(9)6-17)10-2-3-21-7-10/h2-5,7H,8H2,1H3
InChIKeyGIVQTFPEMSPECJ-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.87
Rot. Bonds1

About 8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile

8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile (PubChem CID 71891221) has the molecular formula C16H10N2O2S and a molecular weight of 294.33 g/mol. Its IUPAC name is 8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile.

Molecular Properties

Compound Name8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
PubChem CID71891221
Molecular FormulaC16H10N2O2S
Molecular Weight294.33 g/mol
Exact Mass294.05
IUPAC Name8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
SMILESCc1c(C#N)c(-c2ccsc2)nc2cc3c(cc12)OCO3
InChIInChI=1S/C16H10N2O2S/c1-9-11-4-14-15(20-8-19-14)5-13(11)18-16(12(9)6-17)10-2-3-21-7-10/h2-5,7H,8H2,1H3
InChIKeyGIVQTFPEMSPECJ-UHFFFAOYSA-N
XLogP3.87
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
CID 84625391
4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)benzonitrile
CID 30333496
1-(2-fluorophenyl)-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]methanamine
CID 42480618
4-(8-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)benzonitrile;hydrochloride
CID 42997555
3-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methylamino]propan-1-ol
CID 42398192
6-(1,3-benzodioxol-5-yl)-2-oxo-4-thiophen-3-yl-1H-pyridine-3-carbonitrile
CID 45486507
2-(8-methyl-6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)acetic acid
CID 18073411
2,2-dimethyl-N-[(6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]oxan-4-amine
CID 45235335
(8S)-10-methyl-8-phenyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-b]acridine-8-carbonitrile
CID 2459617
6,8-dimethoxy-[1,3]dioxolo[4,5-g]quinoline
CID 849845
N,8-dimethyl-[1,3]dioxolo[4,5-g]quinolin-6-amine
CID 84622210
8-thiophen-3-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073747

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile?
The IUPAC name of 8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile (CID 71891221) is 8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile.
What is the SMILES notation for 8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile?
The canonical SMILES for 8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile is Cc1c(C#N)c(-c2ccsc2)nc2cc3c(cc12)OCO3.
What is the InChIKey of 8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile?
The InChIKey is GIVQTFPEMSPECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S/c1-9-11-4-14-15(20-8-19-14)5-13(11)18-16(12(9)6-17)10-2-3-21-7-10/h2-5,7H,8H2,1H3.
What are the key properties of 8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile?
8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile has a molecular weight of 294.33 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-thiophen-3-yl-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile is sourced from PubChem (CID 71891221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).