1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol

C15H11NO — CID 90745817

IUPAC1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol
SMILESOC1=CN2C=Cc3cccc4c3=C2C(=C1)CC=4
InChIInChI=1S/C15H11NO/c17-13-8-12-5-4-10-2-1-3-11-6-7-16(9-13)15(12)14(10)11/h1-4,6-9,17H,5H2
InChIKeyHKURBOFRYAACHK-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.60
Rot. Bonds

About 1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol

1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol (PubChem CID 90745817) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol.

Molecular Properties

Compound Name1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol
PubChem CID90745817
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol
SMILESOC1=CN2C=Cc3cccc4c3=C2C(=C1)CC=4
InChIInChI=1S/C15H11NO/c17-13-8-12-5-4-10-2-1-3-11-6-7-16(9-13)15(12)14(10)11/h1-4,6-9,17H,5H2
InChIKeyHKURBOFRYAACHK-UHFFFAOYSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol with MolForge

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Related Compounds

5-methylidene-1H-quinolin-8-ol
CID 87400395
2H-benzo[b]quinolizin-10-ol
CID 88430719
11a,11b-dihydro-11H-benzo[a]quinolizin-2-ol
CID 89346791
1-methyl-8aH-quinolin-6-ol
CID 141953027
12-Azatetracyclo[8.7.1.05,18.012,17]octadeca-1(17),2,4,6,8,10(18),13,15-octaen-7-ol
CID 148245418
6H-benzo[a]quinolizin-2-ol
CID 153767569
4H-benzo[g]quinolizin-1-ol
CID 154373347
10aH-benzo[c]quinolizin-6-ol
CID 435354
1,5-Dihydroquinolin-8-ol
CID 165154010

Frequently Asked Questions

What is the IUPAC name of 1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol?
The IUPAC name of 1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol (CID 90745817) is 1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol.
What is the SMILES notation for 1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol?
The canonical SMILES for 1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol is OC1=CN2C=Cc3cccc4c3=C2C(=C1)CC=4.
What is the InChIKey of 1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol?
The InChIKey is HKURBOFRYAACHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-13-8-12-5-4-10-2-1-3-11-6-7-16(9-13)15(12)14(10)11/h1-4,6-9,17H,5H2.
What are the key properties of 1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol?
1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol has a molecular weight of 221.26 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-2,4,6,8,11,13,15-heptaen-13-ol is sourced from PubChem (CID 90745817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).