CID 68850148

C28H40N6O7Si — CID 68850148

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)C1OC(n2cc3c(N)cc4c(=O)[nH]ncc(n2)c34)C(C)(O)C1OC(=O)CCN1CCOCC1
InChIInChI=1S/C28H40N6O7Si/c1-26(2,3)42-41-27(4,5)22-23(39-20(35)7-8-33-9-11-38-12-10-33)28(6,37)25(40-22)34-15-17-18(29)13-16-21(17)19(32-34)14-30-31-24(16)36/h13-15,22-23,25,37H,7-12,29H2,1-6H3,(H,31,36)
InChIKeyFNQQOVUUXDQNLV-UHFFFAOYSA-N
MW600.75 g/mol
LogP1.77
Rot. Bonds8

About CID 68850148

CID 68850148 (PubChem CID 68850148) has the molecular formula C28H40N6O7Si and a molecular weight of 600.75 g/mol.

Molecular Properties

Compound NameCID 68850148
PubChem CID68850148
Molecular FormulaC28H40N6O7Si
Molecular Weight600.75 g/mol
Exact Mass600.27
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)C1OC(n2cc3c(N)cc4c(=O)[nH]ncc(n2)c34)C(C)(O)C1OC(=O)CCN1CCOCC1
InChIInChI=1S/C28H40N6O7Si/c1-26(2,3)42-41-27(4,5)22-23(39-20(35)7-8-33-9-11-38-12-10-33)28(6,37)25(40-22)34-15-17-18(29)13-16-21(17)19(32-34)14-30-31-24(16)36/h13-15,22-23,25,37H,7-12,29H2,1-6H3,(H,31,36)
InChIKeyFNQQOVUUXDQNLV-UHFFFAOYSA-N
XLogP1.77
TPSA167.05 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.75
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 68850148?
The IUPAC name of CID 68850148 (CID 68850148) is not available.
What is the SMILES notation for CID 68850148?
The canonical SMILES for CID 68850148 is CC(C)(C)[Si]OC(C)(C)C1OC(n2cc3c(N)cc4c(=O)[nH]ncc(n2)c34)C(C)(O)C1OC(=O)CCN1CCOCC1.
What is the InChIKey of CID 68850148?
The InChIKey is FNQQOVUUXDQNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O7Si/c1-26(2,3)42-41-27(4,5)22-23(39-20(35)7-8-33-9-11-38-12-10-33)28(6,37)25(40-22)34-15-17-18(29)13-16-21(17)19(32-34)14-30-31-24(16)36/h13-15,22-23,25,37H,7-12,29H2,1-6H3,(H,31,36).
What are the key properties of CID 68850148?
CID 68850148 has a molecular weight of 600.75 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68850148 is sourced from PubChem (CID 68850148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).