1-[4-(ethylamino)hexyl]quinolin-2-one

C17H24N2O — CID 106800412

IUPAC1-[4-(ethylamino)hexyl]quinolin-2-one
SMILESCCNC(CC)CCCn1c(=O)ccc2ccccc21
InChIInChI=1S/C17H24N2O/c1-3-15(18-4-2)9-7-13-19-16-10-6-5-8-14(16)11-12-17(19)20/h5-6,8,10-12,15,18H,3-4,7,9,13H2,1-2H3
InChIKeyZQVPTMLZUQTYKO-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.17
Rot. Bonds7

About 1-[4-(ethylamino)hexyl]quinolin-2-one

1-[4-(ethylamino)hexyl]quinolin-2-one (PubChem CID 106800412) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[4-(ethylamino)hexyl]quinolin-2-one.

Molecular Properties

Compound Name1-[4-(ethylamino)hexyl]quinolin-2-one
PubChem CID106800412
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[4-(ethylamino)hexyl]quinolin-2-one
SMILESCCNC(CC)CCCn1c(=O)ccc2ccccc21
InChIInChI=1S/C17H24N2O/c1-3-15(18-4-2)9-7-13-19-16-10-6-5-8-14(16)11-12-17(19)20/h5-6,8,10-12,15,18H,3-4,7,9,13H2,1-2H3
InChIKeyZQVPTMLZUQTYKO-UHFFFAOYSA-N
XLogP3.17
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)hexyl]quinolin-2-one?
The IUPAC name of 1-[4-(ethylamino)hexyl]quinolin-2-one (CID 106800412) is 1-[4-(ethylamino)hexyl]quinolin-2-one.
What is the SMILES notation for 1-[4-(ethylamino)hexyl]quinolin-2-one?
The canonical SMILES for 1-[4-(ethylamino)hexyl]quinolin-2-one is CCNC(CC)CCCn1c(=O)ccc2ccccc21.
What is the InChIKey of 1-[4-(ethylamino)hexyl]quinolin-2-one?
The InChIKey is ZQVPTMLZUQTYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-15(18-4-2)9-7-13-19-16-10-6-5-8-14(16)11-12-17(19)20/h5-6,8,10-12,15,18H,3-4,7,9,13H2,1-2H3.
What are the key properties of 1-[4-(ethylamino)hexyl]quinolin-2-one?
1-[4-(ethylamino)hexyl]quinolin-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)hexyl]quinolin-2-one is sourced from PubChem (CID 106800412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).