6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one

C16H22N2O2 — CID 63912061

IUPAC6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCCNC(COc1ccc2c(c1)CCC(=O)N2)C1CC1
InChIInChI=1S/C16H22N2O2/c1-2-17-15(11-3-4-11)10-20-13-6-7-14-12(9-13)5-8-16(19)18-14/h6-7,9,11,15,17H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyLFJOBPJMDKFCFS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.34
Rot. Bonds6

About 6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 63912061) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID63912061
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCCNC(COc1ccc2c(c1)CCC(=O)N2)C1CC1
InChIInChI=1S/C16H22N2O2/c1-2-17-15(11-3-4-11)10-20-13-6-7-14-12(9-13)5-8-16(19)18-14/h6-7,9,11,15,17H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyLFJOBPJMDKFCFS-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 63912061) is 6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one is CCNC(COc1ccc2c(c1)CCC(=O)N2)C1CC1.
What is the InChIKey of 6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LFJOBPJMDKFCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-17-15(11-3-4-11)10-20-13-6-7-14-12(9-13)5-8-16(19)18-14/h6-7,9,11,15,17H,2-5,8,10H2,1H3,(H,18,19).
What are the key properties of 6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 63912061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).