3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone

C23H29N3O2 — CID 67011523

IUPAC3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(OCCCC3CCCNC3)ccc2n1)N1CC=CCC1
InChIInChI=1S/C23H29N3O2/c27-23(26-13-2-1-3-14-26)22-10-8-19-16-20(9-11-21(19)25-22)28-15-5-7-18-6-4-12-24-17-18/h1-2,8-11,16,18,24H,3-7,12-15,17H2
InChIKeyPTARSJUIGYHFCZ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.80
Rot. Bonds6

About 3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone

3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone (PubChem CID 67011523) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone
PubChem CID67011523
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(OCCCC3CCCNC3)ccc2n1)N1CC=CCC1
InChIInChI=1S/C23H29N3O2/c27-23(26-13-2-1-3-14-26)22-10-8-19-16-20(9-11-21(19)25-22)28-15-5-7-18-6-4-12-24-17-18/h1-2,8-11,16,18,24H,3-7,12-15,17H2
InChIKeyPTARSJUIGYHFCZ-UHFFFAOYSA-N
XLogP3.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylpiperidin-1-yl)-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone
CID 67012303
(4-methylpiperazin-1-yl)-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
CID 69490917
[3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-piperidin-3-ylpropoxy)naphthalen-2-yl]methanone
CID 69490968
N-cyclobutyl-6-(3-piperidin-3-ylpropoxy)naphthalene-2-carboxamide
CID 69489101
[3-(3-piperidin-3-ylpropoxy)phenyl] acetate
CID 67740923
morpholin-4-yl-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 11516523
(1,1-dioxo-1,4-thiazinan-4-yl)-[6-(3-piperidin-1-ylpropoxy)quinolin-2-yl]methanone
CID 11539264
(3,4-diaminophenyl)-[3-(3-piperidin-3-ylpropoxy)phenyl]methanone
CID 54434751
N-methyl-4-(2-piperidin-3-ylethoxy)pyridine-2-carboxamide
CID 62358035
(6-fluoro-1,4-diazepan-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273380
[4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone
CID 58347497
(3R)-3-[2-(4-iodophenoxy)ethyl]piperidine
CID 86321285

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone (CID 67011523) is 3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone is O=C(c1ccc2cc(OCCCC3CCCNC3)ccc2n1)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone?
The InChIKey is PTARSJUIGYHFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(26-13-2-1-3-14-26)22-10-8-19-16-20(9-11-21(19)25-22)28-15-5-7-18-6-4-12-24-17-18/h1-2,8-11,16,18,24H,3-7,12-15,17H2.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone?
3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone has a molecular weight of 379.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-[6-(3-piperidin-3-ylpropoxy)quinolin-2-yl]methanone is sourced from PubChem (CID 67011523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).