CID 4910196

C30H26ClN3O3 — CID 4910196

IUPAC—
SMILESCc1cc(C)c2c(c1)C1(C(=O)N2)N2CCCC2C(C(=O)c2ccc(Cl)cc2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C30H26ClN3O3/c1-16-14-17(2)25-21(15-16)30(28(37)33-25)29(20-6-3-4-7-22(20)32-27(29)36)24(23-8-5-13-34(23)30)26(35)18-9-11-19(31)12-10-18/h3-4,6-7,9-12,14-15,23-24H,5,8,13H2,1-2H3,(H,32,36)(H,33,37)
InChIKeySQLALHZTJALFDD-UHFFFAOYSA-N
MW512.01 g/mol
LogP4.97
Rot. Bonds2

About CID 4910196

CID 4910196 (PubChem CID 4910196) has the molecular formula C30H26ClN3O3 and a molecular weight of 512.01 g/mol.

Molecular Properties

Compound NameCID 4910196
PubChem CID4910196
Molecular FormulaC30H26ClN3O3
Molecular Weight512.01 g/mol
Exact Mass511.17
IUPAC Name—
SMILESCc1cc(C)c2c(c1)C1(C(=O)N2)N2CCCC2C(C(=O)c2ccc(Cl)cc2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C30H26ClN3O3/c1-16-14-17(2)25-21(15-16)30(28(37)33-25)29(20-6-3-4-7-22(20)32-27(29)36)24(23-8-5-13-34(23)30)26(35)18-9-11-19(31)12-10-18/h3-4,6-7,9-12,14-15,23-24H,5,8,13H2,1-2H3,(H,32,36)(H,33,37)
InChIKeySQLALHZTJALFDD-UHFFFAOYSA-N
XLogP4.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.01
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 4910196?
The IUPAC name of CID 4910196 (CID 4910196) is not available.
What is the SMILES notation for CID 4910196?
The canonical SMILES for CID 4910196 is Cc1cc(C)c2c(c1)C1(C(=O)N2)N2CCCC2C(C(=O)c2ccc(Cl)cc2)C12C(=O)Nc1ccccc12.
What is the InChIKey of CID 4910196?
The InChIKey is SQLALHZTJALFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClN3O3/c1-16-14-17(2)25-21(15-16)30(28(37)33-25)29(20-6-3-4-7-22(20)32-27(29)36)24(23-8-5-13-34(23)30)26(35)18-9-11-19(31)12-10-18/h3-4,6-7,9-12,14-15,23-24H,5,8,13H2,1-2H3,(H,32,36)(H,33,37).
What are the key properties of CID 4910196?
CID 4910196 has a molecular weight of 512.01 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 4910196 is sourced from PubChem (CID 4910196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).