13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone

C19H16N2O5 — CID 69115719

IUPAC13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
SMILESO=c1[nH]c(=O)c2ccc1c1c3cc(CCCCCO)c(c(=O)[nH]c3=O)c21
InChIInChI=1S/C19H16N2O5/c22-7-3-1-2-4-9-8-12-14-10-5-6-11(17(24)20-16(10)23)15(14)13(9)19(26)21-18(12)25/h5-6,8,22H,1-4,7H2,(H,20,23,24)(H,21,25,26)
InChIKeyGIDYZFKKSFKBPJ-UHFFFAOYSA-N
MW352.35 g/mol
LogP0.82
Rot. Bonds5

About 13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone

13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone (PubChem CID 69115719) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone.

Molecular Properties

Compound Name13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
PubChem CID69115719
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
SMILESO=c1[nH]c(=O)c2ccc1c1c3cc(CCCCCO)c(c(=O)[nH]c3=O)c21
InChIInChI=1S/C19H16N2O5/c22-7-3-1-2-4-9-8-12-14-10-5-6-11(17(24)20-16(10)23)15(14)13(9)19(26)21-18(12)25/h5-6,8,22H,1-4,7H2,(H,20,23,24)(H,21,25,26)
InChIKeyGIDYZFKKSFKBPJ-UHFFFAOYSA-N
XLogP0.82
TPSA120.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone with MolForge

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Related Compounds

5,11-Diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
CID 21946624
13-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
CID 88898104
13,14-Bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
CID 117629841
4-(4-Hydroxybutyl)naphthalene-1-carboxamide
CID 90789019
N-tert-butyl-2-(3-hydroxypropyl)naphthalene-1-carboxamide
CID 10827015
4-(4-Hydroxybutyl)benzo[de]isoquinoline-1,3-dione
CID 19029930
6-(4-Hydroxybutyl)benzo[de]isoquinoline-1,3-dione
CID 53698277
1-(12-Hydroxydodecyl)naphthalene-2-carboxamide
CID 54116778
5,7-Dihydroxy-3,6,9,15-tetrazatetracyclo[9.7.2.213,17.012,18]docosa-1(18),4,7,11,13(22),17(21),19-heptaene-2,10,14,16-tetrone
CID 54119999
5,11-Bis(hex-5-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
CID 54145703
10-Azatricyclo[6.3.2.02,7]trideca-1(12),2,4,6,8(13)-pentaene-9,11-dione
CID 54229796
5,11-Bis(prop-2-enyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone
CID 54419626

Frequently Asked Questions

What is the IUPAC name of 13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone?
The IUPAC name of 13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone (CID 69115719) is 13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone.
What is the SMILES notation for 13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone?
The canonical SMILES for 13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone is O=c1[nH]c(=O)c2ccc1c1c3cc(CCCCCO)c(c(=O)[nH]c3=O)c21.
What is the InChIKey of 13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone?
The InChIKey is GIDYZFKKSFKBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c22-7-3-1-2-4-9-8-12-14-10-5-6-11(17(24)20-16(10)23)15(14)13(9)19(26)21-18(12)25/h5-6,8,22H,1-4,7H2,(H,20,23,24)(H,21,25,26).
What are the key properties of 13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone?
13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone has a molecular weight of 352.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(5-hydroxypentyl)-5,11-diazatetracyclo[7.3.2.23,7.02,8]hexadeca-1(13),2,7,9(14),15-pentaene-4,6,10,12-tetrone is sourced from PubChem (CID 69115719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).