4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

C24H27NO2 — CID 54693055

IUPAC4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
SMILESCCCCCCCCCc1c(O)c2cccc3c4ccccc4n(c1=O)c23
InChIInChI=1S/C24H27NO2/c1-2-3-4-5-6-7-8-13-20-23(26)19-15-11-14-18-17-12-9-10-16-21(17)25(22(18)19)24(20)27/h9-12,14-16,26H,2-8,13H2,1H3
InChIKeyOHZPVUSPEBPCOA-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.04
Rot. Bonds8

About 4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one

4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one (PubChem CID 54693055) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
PubChem CID54693055
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
SMILESCCCCCCCCCc1c(O)c2cccc3c4ccccc4n(c1=O)c23
InChIInChI=1S/C24H27NO2/c1-2-3-4-5-6-7-8-13-20-23(26)19-15-11-14-18-17-12-9-10-16-21(17)25(22(18)19)24(20)27/h9-12,14-16,26H,2-8,13H2,1H3
InChIKeyOHZPVUSPEBPCOA-UHFFFAOYSA-N
XLogP6.04
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-3-propyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
CID 54705810
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
3-dodecylnaphthalene-1,2,4-triol
CID 14672775
4-hydroxy-3-[5-(4-hydroxy-2-oxo-1-phenylquinolin-3-yl)pentyl]-1-phenylquinolin-2-one
CID 110273136
4-heptyl-2,3-dihydroxyisoquinolin-1-one
CID 51042136
4-hydroxy-1,3-dipropylquinolin-2-one
CID 54703043
9-octylcarbazol-1-ol
CID 160567195
4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
4-(benzylamino)-3-ethyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one
CID 2793703
3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one
CID 54734724
pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
CID 54704266
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one?
The IUPAC name of 4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one (CID 54693055) is 4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one.
What is the SMILES notation for 4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one?
The canonical SMILES for 4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one is CCCCCCCCCc1c(O)c2cccc3c4ccccc4n(c1=O)c23.
What is the InChIKey of 4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one?
The InChIKey is OHZPVUSPEBPCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-2-3-4-5-6-7-8-13-20-23(26)19-15-11-14-18-17-12-9-10-16-21(17)25(22(18)19)24(20)27/h9-12,14-16,26H,2-8,13H2,1H3.
What are the key properties of 4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one?
4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one has a molecular weight of 361.49 g/mol, XLogP of 6.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-nonyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-2-one is sourced from PubChem (CID 54693055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).