6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

C17H24N2O2 — CID 114825073

IUPAC6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCNC(c1ccc2c(c1)CCC(=O)N2)C1COC(C)C1
InChIInChI=1S/C17H24N2O2/c1-3-18-17(14-8-11(2)21-10-14)13-4-6-15-12(9-13)5-7-16(20)19-15/h4,6,9,11,14,17-18H,3,5,7-8,10H2,1-2H3,(H,19,20)
InChIKeyRPGFMMPKVFHBNX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.65
Rot. Bonds4

About 6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one

6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 114825073) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID114825073
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCCNC(c1ccc2c(c1)CCC(=O)N2)C1COC(C)C1
InChIInChI=1S/C17H24N2O2/c1-3-18-17(14-8-11(2)21-10-14)13-4-6-15-12(9-13)5-7-16(20)19-15/h4,6,9,11,14,17-18H,3,5,7-8,10H2,1-2H3,(H,19,20)
InChIKeyRPGFMMPKVFHBNX-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methyloxolan-3-yl)-(4-methylphenyl)methyl]ethanamine
CID 114825057
6-[1-(ethylamino)butyl]-3,4-dihydro-1H-quinolin-2-one
CID 43490895
6-[2-cyclobutyl-1-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 103162813
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 43492904
6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 63912061
6-[ethylamino-(5-methylthiophen-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43490884
6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61087528
6-[1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483892
6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 116951044
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
7-[chloro-(5-methyloxolan-3-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 114826823

Frequently Asked Questions

What is the IUPAC name of 6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one (CID 114825073) is 6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is CCNC(c1ccc2c(c1)CCC(=O)N2)C1COC(C)C1.
What is the InChIKey of 6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RPGFMMPKVFHBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-18-17(14-8-11(2)21-10-14)13-4-6-15-12(9-13)5-7-16(20)19-15/h4,6,9,11,14,17-18H,3,5,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of 6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethylamino-(5-methyloxolan-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 114825073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).