8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine

C16H20N2O2 — CID 62915674

IUPAC8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
SMILESCc1nc2cc3c(cc2c(N)c1C(C)C)OCCCO3
InChIInChI=1S/C16H20N2O2/c1-9(2)15-10(3)18-12-8-14-13(7-11(12)16(15)17)19-5-4-6-20-14/h7-9H,4-6H2,1-3H3,(H2,17,18)
InChIKeyLOXUAKGYTUUYOW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.41
Rot. Bonds1

About 8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine

8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine (PubChem CID 62915674) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine.

Molecular Properties

Compound Name8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
PubChem CID62915674
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine
SMILESCc1nc2cc3c(cc2c(N)c1C(C)C)OCCCO3
InChIInChI=1S/C16H20N2O2/c1-9(2)15-10(3)18-12-8-14-13(7-11(12)16(15)17)19-5-4-6-20-14/h7-9H,4-6H2,1-3H3,(H2,17,18)
InChIKeyLOXUAKGYTUUYOW-UHFFFAOYSA-N
XLogP3.41
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine?
The IUPAC name of 8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine (CID 62915674) is 8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine.
What is the SMILES notation for 8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine?
The canonical SMILES for 8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine is Cc1nc2cc3c(cc2c(N)c1C(C)C)OCCCO3.
What is the InChIKey of 8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine?
The InChIKey is LOXUAKGYTUUYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9(2)15-10(3)18-12-8-14-13(7-11(12)16(15)17)19-5-4-6-20-14/h7-9H,4-6H2,1-3H3,(H2,17,18).
What are the key properties of 8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine?
8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine has a molecular weight of 272.35 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-propan-2-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinolin-10-amine is sourced from PubChem (CID 62915674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).