CID 58148317

C21H24N2O — CID 58148317

IUPAC—
SMILES[CH]c1cc(C(=O)Nc2cc(C)cc(CN3CCCC3)c2)ccc1C
InChIInChI=1S/C21H24N2O/c1-15-10-18(14-23-8-4-5-9-23)13-20(11-15)22-21(24)19-7-6-16(2)17(3)12-19/h3,6-7,10-13H,4-5,8-9,14H2,1-2H3,(H,22,24)
InChIKeyGZSUWZXQMQXSKN-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.21
Rot. Bonds4

About CID 58148317

CID 58148317 (PubChem CID 58148317) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol.

Molecular Properties

Compound NameCID 58148317
PubChem CID58148317
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name—
SMILES[CH]c1cc(C(=O)Nc2cc(C)cc(CN3CCCC3)c2)ccc1C
InChIInChI=1S/C21H24N2O/c1-15-10-18(14-23-8-4-5-9-23)13-20(11-15)22-21(24)19-7-6-16(2)17(3)12-19/h3,6-7,10-13H,4-5,8-9,14H2,1-2H3,(H,22,24)
InChIKeyGZSUWZXQMQXSKN-UHFFFAOYSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-methyl-N-[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)oxybenzamide
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Frequently Asked Questions

What is the IUPAC name of CID 58148317?
The IUPAC name of CID 58148317 (CID 58148317) is not available.
What is the SMILES notation for CID 58148317?
The canonical SMILES for CID 58148317 is [CH]c1cc(C(=O)Nc2cc(C)cc(CN3CCCC3)c2)ccc1C.
What is the InChIKey of CID 58148317?
The InChIKey is GZSUWZXQMQXSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-15-10-18(14-23-8-4-5-9-23)13-20(11-15)22-21(24)19-7-6-16(2)17(3)12-19/h3,6-7,10-13H,4-5,8-9,14H2,1-2H3,(H,22,24).
What are the key properties of CID 58148317?
CID 58148317 has a molecular weight of 320.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58148317 is sourced from PubChem (CID 58148317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).