1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol

C19H20Br2N2O2 — CID 567942

IUPAC1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H20Br2N2O2/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)23(18)12-15(24)11-22-5-7-25-8-6-22/h1-4,9-10,15,24H,5-8,11-12H2
InChIKeyBUERTUSYUCOVIP-UHFFFAOYSA-N
MW468.19 g/mol
LogP4.01
Rot. Bonds4

About 1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol

1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol (PubChem CID 567942) has the molecular formula C19H20Br2N2O2 and a molecular weight of 468.19 g/mol. Its IUPAC name is 1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol
PubChem CID567942
Molecular FormulaC19H20Br2N2O2
Molecular Weight468.19 g/mol
Exact Mass465.99
IUPAC Name1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol
SMILESOC(CN1CCOCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H20Br2N2O2/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)23(18)12-15(24)11-22-5-7-25-8-6-22/h1-4,9-10,15,24H,5-8,11-12H2
InChIKeyBUERTUSYUCOVIP-UHFFFAOYSA-N
XLogP4.01
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol (CID 567942) is 1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol is OC(CN1CCOCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol?
The InChIKey is BUERTUSYUCOVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O2/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)23(18)12-15(24)11-22-5-7-25-8-6-22/h1-4,9-10,15,24H,5-8,11-12H2.
What are the key properties of 1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol?
1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol has a molecular weight of 468.19 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dibromocarbazol-9-yl)-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 567942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).