7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C19H19N3O3 — CID 56712401

IUPAC7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCC(c1ccccn1)N(C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C19H19N3O3/c1-12(15-5-3-4-6-20-15)22(2)10-14-7-13-8-17-18(25-11-24-17)9-16(13)21-19(14)23/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyXGBOGUWDQNSUCZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.84
Rot. Bonds4

About 7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 56712401) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID56712401
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCC(c1ccccn1)N(C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
InChIInChI=1S/C19H19N3O3/c1-12(15-5-3-4-6-20-15)22(2)10-14-7-13-8-17-18(25-11-24-17)9-16(13)21-19(14)23/h3-9,12H,10-11H2,1-2H3,(H,21,23)
InChIKeyXGBOGUWDQNSUCZ-UHFFFAOYSA-N
XLogP2.84
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 56712401) is 7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is CC(c1ccccn1)N(C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3.
What is the InChIKey of 7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is XGBOGUWDQNSUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(15-5-3-4-6-20-15)22(2)10-14-7-13-8-17-18(25-11-24-17)9-16(13)21-19(14)23/h3-9,12H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 337.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[methyl(1-pyridin-2-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 56712401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).