CID 140884066

C22H26N2O — CID 140884066

IUPAC—
SMILES[CH2][C]1N(c2c(C)ccc3c2oc2nc(C)ccc23)C(C)(C)CC1(C)C
InChIInChI=1S/C22H26N2O/c1-13-8-10-16-17-11-9-14(2)23-20(17)25-19(16)18(13)24-15(3)21(4,5)12-22(24,6)7/h8-11H,3,12H2,1-2,4-7H3
InChIKeyNLNICLVLRQYJMH-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.98
Rot. Bonds1

About CID 140884066

CID 140884066 (PubChem CID 140884066) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol.

Molecular Properties

Compound NameCID 140884066
PubChem CID140884066
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name—
SMILES[CH2][C]1N(c2c(C)ccc3c2oc2nc(C)ccc23)C(C)(C)CC1(C)C
InChIInChI=1S/C22H26N2O/c1-13-8-10-16-17-11-9-14(2)23-20(17)25-19(16)18(13)24-15(3)21(4,5)12-22(24,6)7/h8-11H,3,12H2,1-2,4-7H3
InChIKeyNLNICLVLRQYJMH-UHFFFAOYSA-N
XLogP5.98
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 140884066?
The IUPAC name of CID 140884066 (CID 140884066) is not available.
What is the SMILES notation for CID 140884066?
The canonical SMILES for CID 140884066 is [CH2][C]1N(c2c(C)ccc3c2oc2nc(C)ccc23)C(C)(C)CC1(C)C.
What is the InChIKey of CID 140884066?
The InChIKey is NLNICLVLRQYJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-13-8-10-16-17-11-9-14(2)23-20(17)25-19(16)18(13)24-15(3)21(4,5)12-22(24,6)7/h8-11H,3,12H2,1-2,4-7H3.
What are the key properties of CID 140884066?
CID 140884066 has a molecular weight of 334.46 g/mol, XLogP of 5.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140884066 is sourced from PubChem (CID 140884066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).