(7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol

C17H18N2O — CID 154699734

IUPAC(7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol
SMILESOc1ccc2c(c1)N1CCNC[C@H]1c1ccccc1C2
InChIInChI=1S/C17H18N2O/c20-14-6-5-13-9-12-3-1-2-4-15(12)17-11-18-7-8-19(17)16(13)10-14/h1-6,10,17-18,20H,7-9,11H2/t17-/m0/s1
InChIKeyKDLZTAPNHXUVCE-KRWDZBQOSA-N
MW266.34 g/mol
LogP2.45
Rot. Bonds

About (7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol

(7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol (PubChem CID 154699734) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol.

Molecular Properties

Compound Name(7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol
PubChem CID154699734
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol
SMILESOc1ccc2c(c1)N1CCNC[C@H]1c1ccccc1C2
InChIInChI=1S/C17H18N2O/c20-14-6-5-13-9-12-3-1-2-4-15(12)17-11-18-7-8-19(17)16(13)10-14/h1-6,10,17-18,20H,7-9,11H2/t17-/m0/s1
InChIKeyKDLZTAPNHXUVCE-KRWDZBQOSA-N
XLogP2.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol?
The IUPAC name of (7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol (CID 154699734) is (7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol.
What is the SMILES notation for (7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol?
The canonical SMILES for (7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol is Oc1ccc2c(c1)N1CCNC[C@H]1c1ccccc1C2.
What is the InChIKey of (7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol?
The InChIKey is KDLZTAPNHXUVCE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N2O/c20-14-6-5-13-9-12-3-1-2-4-15(12)17-11-18-7-8-19(17)16(13)10-14/h1-6,10,17-18,20H,7-9,11H2/t17-/m0/s1.
What are the key properties of (7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol?
(7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol has a molecular weight of 266.34 g/mol, XLogP of 2.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol is sourced from PubChem (CID 154699734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).