CID 44654608

C22H25ClN2O — CID 44654608

IUPAC—
SMILESO=C1N(Cc2ccccc2)c2ccccc2C12CC[NH2+]C21CCCC1.[Cl-]
InChIInChI=1S/C22H24N2O.ClH/c25-20-22(14-15-23-21(22)12-6-7-13-21)18-10-4-5-11-19(18)24(20)16-17-8-2-1-3-9-17;/h1-5,8-11,23H,6-7,12-16H2;1H
InChIKeyVGYBGNMCFWDHKH-UHFFFAOYSA-N
MW368.91 g/mol
LogP-0.24
Rot. Bonds2

About CID 44654608

CID 44654608 (PubChem CID 44654608) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol.

Molecular Properties

Compound NameCID 44654608
PubChem CID44654608
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name—
SMILESO=C1N(Cc2ccccc2)c2ccccc2C12CC[NH2+]C21CCCC1.[Cl-]
InChIInChI=1S/C22H24N2O.ClH/c25-20-22(14-15-23-21(22)12-6-7-13-21)18-10-4-5-11-19(18)24(20)16-17-8-2-1-3-9-17;/h1-5,8-11,23H,6-7,12-16H2;1H
InChIKeyVGYBGNMCFWDHKH-UHFFFAOYSA-N
XLogP-0.24
TPSA36.92 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 44654608?
The IUPAC name of CID 44654608 (CID 44654608) is not available.
What is the SMILES notation for CID 44654608?
The canonical SMILES for CID 44654608 is O=C1N(Cc2ccccc2)c2ccccc2C12CC[NH2+]C21CCCC1.[Cl-].
What is the InChIKey of CID 44654608?
The InChIKey is VGYBGNMCFWDHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O.ClH/c25-20-22(14-15-23-21(22)12-6-7-13-21)18-10-4-5-11-19(18)24(20)16-17-8-2-1-3-9-17;/h1-5,8-11,23H,6-7,12-16H2;1H.
What are the key properties of CID 44654608?
CID 44654608 has a molecular weight of 368.91 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 44654608 is sourced from PubChem (CID 44654608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).