CID 4860344

C34H29N3O3 — CID 4860344

IUPAC—
SMILESCc1ccc2c(c1C)NC(=O)C21N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C34H29N3O3/c1-19-13-16-25-29(20(19)2)36-32(40)34(25)33(24-10-5-6-11-26(24)35-31(33)39)28(27-12-7-17-37(27)34)30(38)23-15-14-21-8-3-4-9-22(21)18-23/h3-6,8-11,13-16,18,27-28H,7,12,17H2,1-2H3,(H,35,39)(H,36,40)
InChIKeyYOTKJXYNGWBHAW-UHFFFAOYSA-N
MW527.62 g/mol
LogP5.47
Rot. Bonds2

About CID 4860344

CID 4860344 (PubChem CID 4860344) has the molecular formula C34H29N3O3 and a molecular weight of 527.62 g/mol.

Molecular Properties

Compound NameCID 4860344
PubChem CID4860344
Molecular FormulaC34H29N3O3
Molecular Weight527.62 g/mol
Exact Mass527.22
IUPAC Name—
SMILESCc1ccc2c(c1C)NC(=O)C21N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C34H29N3O3/c1-19-13-16-25-29(20(19)2)36-32(40)34(25)33(24-10-5-6-11-26(24)35-31(33)39)28(27-12-7-17-37(27)34)30(38)23-15-14-21-8-3-4-9-22(21)18-23/h3-6,8-11,13-16,18,27-28H,7,12,17H2,1-2H3,(H,35,39)(H,36,40)
InChIKeyYOTKJXYNGWBHAW-UHFFFAOYSA-N
XLogP5.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.62
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 4860344?
The IUPAC name of CID 4860344 (CID 4860344) is not available.
What is the SMILES notation for CID 4860344?
The canonical SMILES for CID 4860344 is Cc1ccc2c(c1C)NC(=O)C21N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12.
What is the InChIKey of CID 4860344?
The InChIKey is YOTKJXYNGWBHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N3O3/c1-19-13-16-25-29(20(19)2)36-32(40)34(25)33(24-10-5-6-11-26(24)35-31(33)39)28(27-12-7-17-37(27)34)30(38)23-15-14-21-8-3-4-9-22(21)18-23/h3-6,8-11,13-16,18,27-28H,7,12,17H2,1-2H3,(H,35,39)(H,36,40).
What are the key properties of CID 4860344?
CID 4860344 has a molecular weight of 527.62 g/mol, XLogP of 5.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 4860344 is sourced from PubChem (CID 4860344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).