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

C20H29N3O2 — CID 66960718

IUPAC1-methyl-6-[3-(2-piperidin-1-ylethylamino)propoxy]quinolin-2-one
SMILESCn1c(=O)ccc2cc(OCCCNCCN3CCCCC3)ccc21
InChIInChI=1S/C20H29N3O2/c1-22-19-8-7-18(16-17(19)6-9-20(22)24)25-15-5-10-21-11-14-23-12-3-2-4-13-23/h6-9,16,21H,2-5,10-15H2,1H3
InChIKeyBSRLUBXHZGGEAC-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.38
Rot. Bonds8

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

1-methyl-6-[3-(2-piperidin-1-ylethylamino)propoxy]quinolin-2-one (PubChem CID 66960718) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-methyl-6-[3-(2-piperidin-1-ylethylamino)propoxy]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[3-(2-piperidin-1-ylethylamino)propoxy]quinolin-2-one
PubChem CID66960718
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-methyl-6-[3-(2-piperidin-1-ylethylamino)propoxy]quinolin-2-one
SMILESCn1c(=O)ccc2cc(OCCCNCCN3CCCCC3)ccc21
InChIInChI=1S/C20H29N3O2/c1-22-19-8-7-18(16-17(19)6-9-20(22)24)25-15-5-10-21-11-14-23-12-3-2-4-13-23/h6-9,16,21H,2-5,10-15H2,1H3
InChIKeyBSRLUBXHZGGEAC-UHFFFAOYSA-N
XLogP2.38
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.38
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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Related Compounds

1-methyl-6-[3-(2-pyridin-2-ylethylamino)propoxy]quinolin-2-one
CID 66961029
7-bromo-2-[2-[3-(1-methyl-2-oxoquinolin-6-yl)oxypropylamino]ethyl]isoquinolin-1-one
CID 66960598
1-methyl-6-[5-(2-pyridin-3-ylethylamino)pentoxy]quinolin-2-one;dihydrochloride
CID 66960568
1-methyl-6-[3-[[2-(2-pyridin-2-ylethyl)-4-pyridinyl]methylamino]propoxy]quinolin-2-one
CID 70657015
methyl 6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxylate
CID 58933893
1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
1-methyl-6-[2-(1-pyridin-3-ylethylamino)ethoxy]quinolin-2-one
CID 66961479
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
CID 141317761
N-ethyl-6-(3-piperidin-1-ylpropoxy)naphthalene-2-carboxamide
CID 69070873
2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 10269848
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[3-(2-piperidin-1-ylethylamino)propoxy]quinolin-2-one?
The IUPAC name of 1-methyl-6-[3-(2-piperidin-1-ylethylamino)propoxy]quinolin-2-one (CID 66960718) is 1-methyl-6-[3-(2-piperidin-1-ylethylamino)propoxy]quinolin-2-one.
What is the SMILES notation for 1-methyl-6-[3-(2-piperidin-1-ylethylamino)propoxy]quinolin-2-one?
The canonical SMILES for 1-methyl-6-[3-(2-piperidin-1-ylethylamino)propoxy]quinolin-2-one is Cn1c(=O)ccc2cc(OCCCNCCN3CCCCC3)ccc21.
What is the InChIKey of 1-methyl-6-[3-(2-piperidin-1-ylethylamino)propoxy]quinolin-2-one?
The InChIKey is BSRLUBXHZGGEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-22-19-8-7-18(16-17(19)6-9-20(22)24)25-15-5-10-21-11-14-23-12-3-2-4-13-23/h6-9,16,21H,2-5,10-15H2,1H3.
What are the key properties of 1-methyl-6-[3-(2-piperidin-1-ylethylamino)propoxy]quinolin-2-one?
1-methyl-6-[3-(2-piperidin-1-ylethylamino)propoxy]quinolin-2-one has a molecular weight of 343.47 g/mol, XLogP of 2.38, 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-piperidin-1-ylethylamino)propoxy]quinolin-2-one is sourced from PubChem (CID 66960718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).