CID 121276161

C23H27N3O2 — CID 121276161

IUPAC—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(C)c3)cc1[C@@]21COC(N)=N1
InChIInChI=1S/C23H27N3O2/c1-15-9-18(13-25-12-15)16-3-4-17-11-22(7-5-19(27-2)6-8-22)23(20(17)10-16)14-28-21(24)26-23/h3-4,9-10,12-13,19H,5-8,11,14H2,1-2H3,(H2,24,26)/t19?,22?,23-/m0/s1
InChIKeyXMEKMASQQBIQCX-HXJXPZHGSA-N
MW377.49 g/mol
LogP3.73
Rot. Bonds2

About CID 121276161

CID 121276161 (PubChem CID 121276161) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol.

Molecular Properties

Compound NameCID 121276161
PubChem CID121276161
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name—
SMILESCOC1CCC2(CC1)Cc1ccc(-c3cncc(C)c3)cc1[C@@]21COC(N)=N1
InChIInChI=1S/C23H27N3O2/c1-15-9-18(13-25-12-15)16-3-4-17-11-22(7-5-19(27-2)6-8-22)23(20(17)10-16)14-28-21(24)26-23/h3-4,9-10,12-13,19H,5-8,11,14H2,1-2H3,(H2,24,26)/t19?,22?,23-/m0/s1
InChIKeyXMEKMASQQBIQCX-HXJXPZHGSA-N
XLogP3.73
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 121276161?
The IUPAC name of CID 121276161 (CID 121276161) is not available.
What is the SMILES notation for CID 121276161?
The canonical SMILES for CID 121276161 is COC1CCC2(CC1)Cc1ccc(-c3cncc(C)c3)cc1[C@@]21COC(N)=N1.
What is the InChIKey of CID 121276161?
The InChIKey is XMEKMASQQBIQCX-HXJXPZHGSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-9-18(13-25-12-15)16-3-4-17-11-22(7-5-19(27-2)6-8-22)23(20(17)10-16)14-28-21(24)26-23/h3-4,9-10,12-13,19H,5-8,11,14H2,1-2H3,(H2,24,26)/t19?,22?,23-/m0/s1.
What are the key properties of CID 121276161?
CID 121276161 has a molecular weight of 377.49 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 121276161 is sourced from PubChem (CID 121276161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).