1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one

C16H20N2O — CID 62565537

IUPAC1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one
SMILESCC(NCCn1ccc(=O)c2ccccc21)C1CC1
InChIInChI=1S/C16H20N2O/c1-12(13-6-7-13)17-9-11-18-10-8-16(19)14-4-2-3-5-15(14)18/h2-5,8,10,12-13,17H,6-7,9,11H2,1H3
InChIKeyXVFZYSUHTLTDKN-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one

1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one (PubChem CID 62565537) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one
PubChem CID62565537
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one
SMILESCC(NCCn1ccc(=O)c2ccccc21)C1CC1
InChIInChI=1S/C16H20N2O/c1-12(13-6-7-13)17-9-11-18-10-8-16(19)14-4-2-3-5-15(14)18/h2-5,8,10,12-13,17H,6-7,9,11H2,1H3
InChIKeyXVFZYSUHTLTDKN-UHFFFAOYSA-N
XLogP2.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one?
The IUPAC name of 1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one (CID 62565537) is 1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one?
The canonical SMILES for 1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one is CC(NCCn1ccc(=O)c2ccccc21)C1CC1.
What is the InChIKey of 1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one?
The InChIKey is XVFZYSUHTLTDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12(13-6-7-13)17-9-11-18-10-8-16(19)14-4-2-3-5-15(14)18/h2-5,8,10,12-13,17H,6-7,9,11H2,1H3.
What are the key properties of 1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one?
1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one has a molecular weight of 256.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclopropylethylamino)ethyl]quinolin-4-one is sourced from PubChem (CID 62565537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).