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

C18H23N5O2 — CID 143078032

IUPAC9-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
SMILESCC(C)(C)O.Nc1nc2ccccc2c2c1nc1n2CCN(C=O)C1
InChIInChI=1S/C14H13N5O.C4H10O/c15-14-12-13(9-3-1-2-4-10(9)16-14)19-6-5-18(8-20)7-11(19)17-12;1-4(2,3)5/h1-4,8H,5-7H2,(H2,15,16);5H,1-3H3
InChIKeySXQWTFLCMVGQQP-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.92
Rot. Bonds1

About 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

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 (PubChem CID 143078032) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID143078032
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name9-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
SMILESCC(C)(C)O.Nc1nc2ccccc2c2c1nc1n2CCN(C=O)C1
InChIInChI=1S/C14H13N5O.C4H10O/c15-14-12-13(9-3-1-2-4-10(9)16-14)19-6-5-18(8-20)7-11(19)17-12;1-4(2,3)5/h1-4,8H,5-7H2,(H2,15,16);5H,1-3H3
InChIKeySXQWTFLCMVGQQP-UHFFFAOYSA-N
XLogP1.92
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
14-methylsulfanyl-8,11,14,18-tetrazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2,4,6,8,11-hexaen-9-amine
CID 143078035
1-(4-amino-2-pyrrolidin-1-ylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 58421827
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
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534
(3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol
CID 155368524
2-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-1-ol
CID 14986953
(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
tert-butyl N-[[(16S)-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]methyl]carbamate
CID 86619532
1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol
CID 143292286
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
[4-[2-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]amino]ethoxy]-1,1-difluorobutyl]-methylphosphinic acid
CID 121440377

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)O.Nc1nc2ccccc2c2c1nc1n2CCN(C=O)C1.
What is the InChIKey of 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?
The InChIKey is SXQWTFLCMVGQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O.C4H10O/c15-14-12-13(9-3-1-2-4-10(9)16-14)19-6-5-18(8-20)7-11(19)17-12;1-4(2,3)5/h1-4,8H,5-7H2,(H2,15,16);5H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 341.42 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143078032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).