CID 123368464

C21H21FN4O3 — CID 123368464

IUPAC—
SMILESCC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2C2(COC(N)=N2)C12CC2
InChIInChI=1S/C21H21FN4O3/c1-19(2)20(7-8-20)21(11-28-18(23)26-21)14-9-13(4-6-16(14)29-19)25-17(27)15-5-3-12(22)10-24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,26)(H,25,27)
InChIKeyKFVQLLMGMYDUOM-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.96
Rot. Bonds2

About CID 123368464

CID 123368464 (PubChem CID 123368464) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol.

Molecular Properties

Compound NameCID 123368464
PubChem CID123368464
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name—
SMILESCC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2C2(COC(N)=N2)C12CC2
InChIInChI=1S/C21H21FN4O3/c1-19(2)20(7-8-20)21(11-28-18(23)26-21)14-9-13(4-6-16(14)29-19)25-17(27)15-5-3-12(22)10-24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,26)(H,25,27)
InChIKeyKFVQLLMGMYDUOM-UHFFFAOYSA-N
XLogP2.96
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 123368464?
The IUPAC name of CID 123368464 (CID 123368464) is not available.
What is the SMILES notation for CID 123368464?
The canonical SMILES for CID 123368464 is CC1(C)Oc2ccc(NC(=O)c3ccc(F)cn3)cc2C2(COC(N)=N2)C12CC2.
What is the InChIKey of CID 123368464?
The InChIKey is KFVQLLMGMYDUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-19(2)20(7-8-20)21(11-28-18(23)26-21)14-9-13(4-6-16(14)29-19)25-17(27)15-5-3-12(22)10-24-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,23,26)(H,25,27).
What are the key properties of CID 123368464?
CID 123368464 has a molecular weight of 396.42 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123368464 is sourced from PubChem (CID 123368464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).