4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine

C23H19F2N3O2 — CID 45139204

IUPAC4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine
SMILESCOc1c2[nH]c3ccc(F)cc3c2c(N2CCOCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C23H19F2N3O2/c1-29-23-20-18(14-10-12(24)2-4-16(14)26-20)22(28-6-8-30-9-7-28)19-15-11-13(25)3-5-17(15)27-21(19)23/h2-5,10-11,26-27H,6-9H2,1H3
InChIKeyBYEPFYTZWNFUNH-UHFFFAOYSA-N
MW407.42 g/mol
LogP5.08
Rot. Bonds2

About 4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine

4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine (PubChem CID 45139204) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is 4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine.

Molecular Properties

Compound Name4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine
PubChem CID45139204
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine
SMILESCOc1c2[nH]c3ccc(F)cc3c2c(N2CCOCC2)c2c1[nH]c1ccc(F)cc12
InChIInChI=1S/C23H19F2N3O2/c1-29-23-20-18(14-10-12(24)2-4-16(14)26-20)22(28-6-8-30-9-7-28)19-15-11-13(25)3-5-17(15)27-21(19)23/h2-5,10-11,26-27H,6-9H2,1H3
InChIKeyBYEPFYTZWNFUNH-UHFFFAOYSA-N
XLogP5.08
TPSA53.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.42
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine?
The IUPAC name of 4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine (CID 45139204) is 4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine.
What is the SMILES notation for 4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine?
The canonical SMILES for 4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine is COc1c2[nH]c3ccc(F)cc3c2c(N2CCOCC2)c2c1[nH]c1ccc(F)cc12.
What is the InChIKey of 4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine?
The InChIKey is BYEPFYTZWNFUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c1-29-23-20-18(14-10-12(24)2-4-16(14)26-20)22(28-6-8-30-9-7-28)19-15-11-13(25)3-5-17(15)27-21(19)23/h2-5,10-11,26-27H,6-9H2,1H3.
What are the key properties of 4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine?
4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine has a molecular weight of 407.42 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,10-difluoro-6-methoxy-5,7-dihydroindolo[2,3-b]carbazol-12-yl)morpholine is sourced from PubChem (CID 45139204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).