CID 140820170

C25H22N2O — CID 140820170

IUPAC—
SMILES[C-]#[N+]c1cccc2c1ccc1c3c(cnc12)C1(CCCC1)C(=O)C31CCCC1
InChIInChI=1S/C25H22N2O/c1-26-20-8-6-7-17-16(20)9-10-18-21-19(15-27-22(17)18)24(11-2-3-12-24)23(28)25(21)13-4-5-14-25/h6-10,15H,2-5,11-14H2
InChIKeyLOAFTURVIZXISF-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.15
Rot. Bonds

About CID 140820170

CID 140820170 (PubChem CID 140820170) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol.

Molecular Properties

Compound NameCID 140820170
PubChem CID140820170
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name—
SMILES[C-]#[N+]c1cccc2c1ccc1c3c(cnc12)C1(CCCC1)C(=O)C31CCCC1
InChIInChI=1S/C25H22N2O/c1-26-20-8-6-7-17-16(20)9-10-18-21-19(15-27-22(17)18)24(11-2-3-12-24)23(28)25(21)13-4-5-14-25/h6-10,15H,2-5,11-14H2
InChIKeyLOAFTURVIZXISF-UHFFFAOYSA-N
XLogP6.15
TPSA34.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 140820170?
The IUPAC name of CID 140820170 (CID 140820170) is not available.
What is the SMILES notation for CID 140820170?
The canonical SMILES for CID 140820170 is [C-]#[N+]c1cccc2c1ccc1c3c(cnc12)C1(CCCC1)C(=O)C31CCCC1.
What is the InChIKey of CID 140820170?
The InChIKey is LOAFTURVIZXISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-26-20-8-6-7-17-16(20)9-10-18-21-19(15-27-22(17)18)24(11-2-3-12-24)23(28)25(21)13-4-5-14-25/h6-10,15H,2-5,11-14H2.
What are the key properties of CID 140820170?
CID 140820170 has a molecular weight of 366.46 g/mol, XLogP of 6.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140820170 is sourced from PubChem (CID 140820170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).