(7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine

C14H16N2O2 — CID 23557922

IUPAC(7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine
SMILESCc1nc2cc3c(cc2c(CN)c1C)OCCO3
InChIInChI=1S/C14H16N2O2/c1-8-9(2)16-12-6-14-13(17-3-4-18-14)5-10(12)11(8)7-15/h5-6H,3-4,7,15H2,1-2H3
InChIKeyVBZJUKHADXKSCM-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.08
Rot. Bonds1

About (7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine

(7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine (PubChem CID 23557922) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine.

Molecular Properties

Compound Name(7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine
PubChem CID23557922
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine
SMILESCc1nc2cc3c(cc2c(CN)c1C)OCCO3
InChIInChI=1S/C14H16N2O2/c1-8-9(2)16-12-6-14-13(17-3-4-18-14)5-10(12)11(8)7-15/h5-6H,3-4,7,15H2,1-2H3
InChIKeyVBZJUKHADXKSCM-UHFFFAOYSA-N
XLogP2.08
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
CID 23557921
N,7,8-trimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 62201799
(2,3-dimethylquinolin-4-yl)methanamine
CID 63346552
(7-ethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)hydrazine
CID 62250942
N,9-diethyl-8-methyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 63481043
8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
CID 62915674
6,8-dimethyl-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 2458135
10-chloro-8-ethyl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline
CID 43668416
5,8,15,18,25,28-hexaoxaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4(9),10,12,14(19),20,22,24(29)-nonaene
CID 20661294
N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 63744415
6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride
CID 167719364
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride
CID 86346260

Frequently Asked Questions

What is the IUPAC name of (7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine?
The IUPAC name of (7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine (CID 23557922) is (7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine.
What is the SMILES notation for (7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine?
The canonical SMILES for (7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine is Cc1nc2cc3c(cc2c(CN)c1C)OCCO3.
What is the InChIKey of (7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine?
The InChIKey is VBZJUKHADXKSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8-9(2)16-12-6-14-13(17-3-4-18-14)5-10(12)11(8)7-15/h5-6H,3-4,7,15H2,1-2H3.
What are the key properties of (7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine?
(7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine has a molecular weight of 244.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dimethyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-yl)methanamine is sourced from PubChem (CID 23557922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).