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1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol

C24H30N4O — CID 130295621

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol
SMILESCc1ccc2cc(CNCCCN3CC4C5=C4C53)c(N3CCC(O)CC3)nc2c1
InChIInChI=1S/C24H30N4O/c1-15-3-4-16-12-17(13-25-7-2-8-28-14-19-21-22(19)23(21)28)24(26-20(16)11-15)27-9-5-18(29)6-10-27/h3-4,11-12,18-19,23,25,29H,2,5-10,13-14H2,1H3
InChIKeyFVXMEDRRKULCGK-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.61
Rot. Bonds7

About 1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol

1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol (PubChem CID 130295621) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol
PubChem CID130295621
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol
SMILESCc1ccc2cc(CNCCCN3CC4C5=C4C53)c(N3CCC(O)CC3)nc2c1
InChIInChI=1S/C24H30N4O/c1-15-3-4-16-12-17(13-25-7-2-8-28-14-19-21-22(19)23(21)28)24(26-20(16)11-15)27-9-5-18(29)6-10-27/h3-4,11-12,18-19,23,25,29H,2,5-10,13-14H2,1H3
InChIKeyFVXMEDRRKULCGK-UHFFFAOYSA-N
XLogP2.61
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol (CID 130295621) is 1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol is Cc1ccc2cc(CNCCCN3CC4C5=C4C53)c(N3CCC(O)CC3)nc2c1.
What is the InChIKey of 1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol?
The InChIKey is FVXMEDRRKULCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-15-3-4-16-12-17(13-25-7-2-8-28-14-19-21-22(19)23(21)28)24(26-20(16)11-15)27-9-5-18(29)6-10-27/h3-4,11-12,18-19,23,25,29H,2,5-10,13-14H2,1H3.
What are the key properties of 1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol?
1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol has a molecular weight of 390.53 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 130295621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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