CID 90055997

C27H26N4O4 — CID 90055997

IUPAC—
SMILESCC1(C)Oc2ccc(NC(=O)c3ccc(-c4ccccc4)cn3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C27H26N4O4/c1-25(2)26(14-33-15-26)27(16-34-24(28)31-27)20-12-19(9-11-22(20)35-25)30-23(32)21-10-8-18(13-29-21)17-6-4-3-5-7-17/h3-13H,14-16H2,1-2H3,(H2,28,31)(H,30,32)
InChIKeyOYBRWZXKYRXYTL-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.73
Rot. Bonds3

About CID 90055997

CID 90055997 (PubChem CID 90055997) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol.

Molecular Properties

Compound NameCID 90055997
PubChem CID90055997
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name—
SMILESCC1(C)Oc2ccc(NC(=O)c3ccc(-c4ccccc4)cn3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C27H26N4O4/c1-25(2)26(14-33-15-26)27(16-34-24(28)31-27)20-12-19(9-11-22(20)35-25)30-23(32)21-10-8-18(13-29-21)17-6-4-3-5-7-17/h3-13H,14-16H2,1-2H3,(H2,28,31)(H,30,32)
InChIKeyOYBRWZXKYRXYTL-UHFFFAOYSA-N
XLogP3.73
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 90055997?
The IUPAC name of CID 90055997 (CID 90055997) is not available.
What is the SMILES notation for CID 90055997?
The canonical SMILES for CID 90055997 is CC1(C)Oc2ccc(NC(=O)c3ccc(-c4ccccc4)cn3)cc2C2(COC(N)=N2)C12COC2.
What is the InChIKey of CID 90055997?
The InChIKey is OYBRWZXKYRXYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-25(2)26(14-33-15-26)27(16-34-24(28)31-27)20-12-19(9-11-22(20)35-25)30-23(32)21-10-8-18(13-29-21)17-6-4-3-5-7-17/h3-13H,14-16H2,1-2H3,(H2,28,31)(H,30,32).
What are the key properties of CID 90055997?
CID 90055997 has a molecular weight of 470.53 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90055997 is sourced from PubChem (CID 90055997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).