4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one

C17H24N2O2 — CID 43770823

IUPAC4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCCCOCC2CC2)c2ccccc21
InChIInChI=1S/C17H24N2O2/c1-19-16-6-3-2-5-14(16)15(11-17(19)20)18-9-4-10-21-12-13-7-8-13/h2-3,5-6,13,15,18H,4,7-12H2,1H3
InChIKeyUKZQHAQMIYCYRO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.50
Rot. Bonds7

About 4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one

4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 43770823) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID43770823
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CC(NCCCOCC2CC2)c2ccccc21
InChIInChI=1S/C17H24N2O2/c1-19-16-6-3-2-5-14(16)15(11-17(19)20)18-9-4-10-21-12-13-7-8-13/h2-3,5-6,13,15,18H,4,7-12H2,1H3
InChIKeyUKZQHAQMIYCYRO-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one (CID 43770823) is 4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CC(NCCCOCC2CC2)c2ccccc21.
What is the InChIKey of 4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is UKZQHAQMIYCYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19-16-6-3-2-5-14(16)15(11-17(19)20)18-9-4-10-21-12-13-7-8-13/h2-3,5-6,13,15,18H,4,7-12H2,1H3.
What are the key properties of 4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one?
4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethoxy)propylamino]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 43770823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).