1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one

C20H23N3O2 — CID 66961029

IUPAC1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one
SMILESCn1c(=O)ccc2cc(OCCCNCCc3ccccn3)ccc21
InChIInChI=1S/C20H23N3O2/c1-23-19-8-7-18(15-16(19)6-9-20(23)24)25-14-4-11-21-13-10-17-5-2-3-12-22-17/h2-3,5-9,12,15,21H,4,10-11,13-14H2,1H3
InChIKeyYBUAFJARGOYTSC-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.53
Rot. Bonds8

About 1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one

1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one (PubChem CID 66961029) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one
PubChem CID66961029
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one
SMILESCn1c(=O)ccc2cc(OCCCNCCc3ccccn3)ccc21
InChIInChI=1S/C20H23N3O2/c1-23-19-8-7-18(15-16(19)6-9-20(23)24)25-14-4-11-21-13-10-17-5-2-3-12-22-17/h2-3,5-9,12,15,21H,4,10-11,13-14H2,1H3
InChIKeyYBUAFJARGOYTSC-UHFFFAOYSA-N
XLogP2.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one?
The IUPAC name of 1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one (CID 66961029) is 1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one.
What is the SMILES notation for 1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one?
The canonical SMILES for 1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one is Cn1c(=O)ccc2cc(OCCCNCCc3ccccn3)ccc21.
What is the InChIKey of 1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one?
The InChIKey is YBUAFJARGOYTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-23-19-8-7-18(15-16(19)6-9-20(23)24)25-14-4-11-21-13-10-17-5-2-3-12-22-17/h2-3,5-9,12,15,21H,4,10-11,13-14H2,1H3.
What are the key properties of 1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one?
1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one has a molecular weight of 337.42 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one is sourced from PubChem (CID 66961029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).