(3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene

C24H30N4 — CID 135447791

IUPAC(3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene
SMILESC1=CC=C2NCCCCNC3=CC=CC=C/C3=N\[C@@H]3CCCC[C@H]3/N=C/2C=C1
InChIInChI=1S/C24H30N4/c1-3-11-19-21(13-5-1)27-23-15-7-8-16-24(23)28-22-14-6-2-4-12-20(22)26-18-10-9-17-25-19/h1-6,11-14,23-26H,7-10,15-18H2/b27-21+,28-22+/t23-,24-/m1/s1
InChIKeyWQSSXEKJDBHZLE-RRMZFMTQSA-N
MW374.53 g/mol
LogP4.17
Rot. Bonds

About (3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene

(3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene (PubChem CID 135447791) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is (3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene.

Molecular Properties

Compound Name(3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene
PubChem CID135447791
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name(3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene
SMILESC1=CC=C2NCCCCNC3=CC=CC=C/C3=N\[C@@H]3CCCC[C@H]3/N=C/2C=C1
InChIInChI=1S/C24H30N4/c1-3-11-19-21(13-5-1)27-23-15-7-8-16-24(23)28-22-14-6-2-4-12-20(22)26-18-10-9-17-25-19/h1-6,11-14,23-26H,7-10,15-18H2/b27-21+,28-22+/t23-,24-/m1/s1
InChIKeyWQSSXEKJDBHZLE-RRMZFMTQSA-N
XLogP4.17
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'colchicine_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene?
The IUPAC name of (3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene (CID 135447791) is (3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene.
What is the SMILES notation for (3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene?
The canonical SMILES for (3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene is C1=CC=C2NCCCCNC3=CC=CC=C/C3=N\[C@@H]3CCCC[C@H]3/N=C/2C=C1.
What is the InChIKey of (3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene?
The InChIKey is WQSSXEKJDBHZLE-RRMZFMTQSA-N. The full InChI is InChI=1S/C24H30N4/c1-3-11-19-21(13-5-1)27-23-15-7-8-16-24(23)28-22-14-6-2-4-12-20(22)26-18-10-9-17-25-19/h1-6,11-14,23-26H,7-10,15-18H2/b27-21+,28-22+/t23-,24-/m1/s1.
What are the key properties of (3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene?
(3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene has a molecular weight of 374.53 g/mol, XLogP of 4.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8R)-2,9,17,22-tetrazatetracyclo[21.5.0.03,8.010,16]octacosa-1,9,11,13,15,23,25,27-octaene is sourced from PubChem (CID 135447791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).