8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C19H25N3O3 — CID 43818946

IUPAC8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCCN1CCCC1CNCc1cc2cc3c(cc2[nH]c1=O)OCCO3
InChIInChI=1S/C19H25N3O3/c1-2-22-5-3-4-15(22)12-20-11-14-8-13-9-17-18(25-7-6-24-17)10-16(13)21-19(14)23/h8-10,15,20H,2-7,11-12H2,1H3,(H,21,23)
InChIKeyKENAASCJPVJENH-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.87
Rot. Bonds5

About 8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 43818946) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

Compound Name8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
PubChem CID43818946
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
SMILESCCN1CCCC1CNCc1cc2cc3c(cc2[nH]c1=O)OCCO3
InChIInChI=1S/C19H25N3O3/c1-2-22-5-3-4-15(22)12-20-11-14-8-13-9-17-18(25-7-6-24-17)10-16(13)21-19(14)23/h8-10,15,20H,2-7,11-12H2,1H3,(H,21,23)
InChIKeyKENAASCJPVJENH-UHFFFAOYSA-N
XLogP1.87
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The IUPAC name of 8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 43818946) is 8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.
What is the SMILES notation for 8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The canonical SMILES for 8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is CCN1CCCC1CNCc1cc2cc3c(cc2[nH]c1=O)OCCO3.
What is the InChIKey of 8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
The InChIKey is KENAASCJPVJENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-22-5-3-4-15(22)12-20-11-14-8-13-9-17-18(25-7-6-24-17)10-16(13)21-19(14)23/h8-10,15,20H,2-7,11-12H2,1H3,(H,21,23).
What are the key properties of 8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?
8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 343.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 43818946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).