9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid

C15H15N5O2 — CID 66958498

IUPAC9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid
SMILESNc1nc2ccccc2c2c1nc1n2CCCN(C(=O)O)C1
InChIInChI=1S/C15H15N5O2/c16-14-12-13(9-4-1-2-5-10(9)17-14)20-7-3-6-19(15(21)22)8-11(20)18-12/h1-2,4-5H,3,6-8H2,(H2,16,17)(H,21,22)
InChIKeyPYIPKLDGISROCO-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.05
Rot. Bonds

About 9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid

9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid (PubChem CID 66958498) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid.

Molecular Properties

Compound Name9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid
PubChem CID66958498
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid
SMILESNc1nc2ccccc2c2c1nc1n2CCCN(C(=O)O)C1
InChIInChI=1S/C15H15N5O2/c16-14-12-13(9-4-1-2-5-10(9)17-14)20-7-3-6-19(15(21)22)8-11(20)18-12/h1-2,4-5H,3,6-8H2,(H2,16,17)(H,21,22)
InChIKeyPYIPKLDGISROCO-UHFFFAOYSA-N
XLogP2.05
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid with MolForge

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Related Compounds

9-amino-8,11,14,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaene-14-carbaldehyde;2-methylpropan-2-ol
CID 143078032
ethane;methyl pentanoate;15-oxa-8,11,18-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 90711913
(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
CID 62154164
(2-aminoquinolin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62967322
2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)acetamide
CID 11623154
1-(4-amino-2-pyrrolidin-1-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 58421827
9-amino-15-methyl-N-propan-2-yl-8,11,13,16-tetrazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,11-hexaene-13-carboxamide
CID 24852178
N-[3-(9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl)propyl]morpholine-4-carboxamide
CID 76813304
3-[4-amino-1-(3-hydroxypropyl)imidazo[4,5-c]quinolin-2-yl]propanamide
CID 173109370
(1R)-1-[(16R)-9-amino-14-oxa-8,11,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11-hexaen-16-yl]ethanol
CID 58406179
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 102987185

Frequently Asked Questions

What is the IUPAC name of 9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid?
The IUPAC name of 9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid (CID 66958498) is 9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid.
What is the SMILES notation for 9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid?
The canonical SMILES for 9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid is Nc1nc2ccccc2c2c1nc1n2CCCN(C(=O)O)C1.
What is the InChIKey of 9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid?
The InChIKey is PYIPKLDGISROCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c16-14-12-13(9-4-1-2-5-10(9)17-14)20-7-3-6-19(15(21)22)8-11(20)18-12/h1-2,4-5H,3,6-8H2,(H2,16,17)(H,21,22).
What are the key properties of 9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid?
9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid has a molecular weight of 297.32 g/mol, XLogP of 2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaene-14-carboxylic acid is sourced from PubChem (CID 66958498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).