CID 159515178

C21H24N4O4 — CID 159515178

IUPAC—
SMILESCn1cc(C(=O)Cc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)cn1
InChIInChI=1S/C21H24N4O4/c1-19(2)20(10-27-11-20)21(12-28-18(22)24-21)15-6-13(4-5-17(15)29-19)7-16(26)14-8-23-25(3)9-14/h4-6,8-9H,7,10-12H2,1-3H3,(H2,22,24)
InChIKeyMBCHAIHJGITMSP-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.57
Rot. Bonds3

About CID 159515178

CID 159515178 (PubChem CID 159515178) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol.

Molecular Properties

Compound NameCID 159515178
PubChem CID159515178
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name—
SMILESCn1cc(C(=O)Cc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)cn1
InChIInChI=1S/C21H24N4O4/c1-19(2)20(10-27-11-20)21(12-28-18(22)24-21)15-6-13(4-5-17(15)29-19)7-16(26)14-8-23-25(3)9-14/h4-6,8-9H,7,10-12H2,1-3H3,(H2,22,24)
InChIKeyMBCHAIHJGITMSP-UHFFFAOYSA-N
XLogP1.57
TPSA100.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 159515178?
The IUPAC name of CID 159515178 (CID 159515178) is not available.
What is the SMILES notation for CID 159515178?
The canonical SMILES for CID 159515178 is Cn1cc(C(=O)Cc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)cn1.
What is the InChIKey of CID 159515178?
The InChIKey is MBCHAIHJGITMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-19(2)20(10-27-11-20)21(12-28-18(22)24-21)15-6-13(4-5-17(15)29-19)7-16(26)14-8-23-25(3)9-14/h4-6,8-9H,7,10-12H2,1-3H3,(H2,22,24).
What are the key properties of CID 159515178?
CID 159515178 has a molecular weight of 396.45 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159515178 is sourced from PubChem (CID 159515178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).