5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid

C23H25NO2 — CID 10360338

IUPAC5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid
SMILESO=C(O)CCCCN1CCC2=C(C1)c1ccccc1Cc1ccccc12
InChIInChI=1S/C23H25NO2/c25-23(26)11-5-6-13-24-14-12-21-19-9-3-1-7-17(19)15-18-8-2-4-10-20(18)22(21)16-24/h1-4,7-10H,5-6,11-16H2,(H,25,26)
InChIKeyCBEVVQWUISWHEU-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.46
Rot. Bonds5

About 5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid

5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid (PubChem CID 10360338) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid
PubChem CID10360338
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid
SMILESO=C(O)CCCCN1CCC2=C(C1)c1ccccc1Cc1ccccc12
InChIInChI=1S/C23H25NO2/c25-23(26)11-5-6-13-24-14-12-21-19-9-3-1-7-17(19)15-18-8-2-4-10-20(18)22(21)16-24/h1-4,7-10H,5-6,11-16H2,(H,25,26)
InChIKeyCBEVVQWUISWHEU-UHFFFAOYSA-N
XLogP4.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid 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

5-(1,3-dihydroisoindol-2-yl)pentanoic acid
CID 2063858
5-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 18870951
6-(3,4-dihydro-1H-isoquinolin-2-yl)hexanamide;hydrochloride
CID 21092218
7-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylheptanoic acid
CID 22662959
6-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]hexanoic acid;hydrochloride
CID 67914039
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
9H-fluorene;propanoic acid
CID 67831567
4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoyl chloride
CID 39255656
6-(9H-acridin-10-yl)hexanoic acid
CID 66643396
ethane;9H-fluorene;propanoic acid
CID 90836645
2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]isoindole-1,3-dione
CID 71606440
4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride
CID 44536996

Frequently Asked Questions

What is the IUPAC name of 5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid?
The IUPAC name of 5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid (CID 10360338) is 5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid.
What is the SMILES notation for 5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid?
The canonical SMILES for 5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid is O=C(O)CCCCN1CCC2=C(C1)c1ccccc1Cc1ccccc12.
What is the InChIKey of 5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid?
The InChIKey is CBEVVQWUISWHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c25-23(26)11-5-6-13-24-14-12-21-19-9-3-1-7-17(19)15-18-8-2-4-10-20(18)22(21)16-24/h1-4,7-10H,5-6,11-16H2,(H,25,26).
What are the key properties of 5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid?
5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid has a molecular weight of 347.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaen-4-yl)pentanoic acid is sourced from PubChem (CID 10360338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).