1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one

C18H19N3O2 — CID 71156893

IUPAC1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1ccc2c(ccc3[nH]ncc32)c1
InChIInChI=1S/C18H19N3O2/c22-18(5-6-21-7-9-23-10-8-21)14-1-3-15-13(11-14)2-4-17-16(15)12-19-20-17/h1-4,11-12H,5-10H2,(H,19,20)
InChIKeyHILGCIYYNCXHIS-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.62
Rot. Bonds4

About 1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one

1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one (PubChem CID 71156893) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one
PubChem CID71156893
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)c1ccc2c(ccc3[nH]ncc32)c1
InChIInChI=1S/C18H19N3O2/c22-18(5-6-21-7-9-23-10-8-21)14-1-3-15-13(11-14)2-4-17-16(15)12-19-20-17/h1-4,11-12H,5-10H2,(H,19,20)
InChIKeyHILGCIYYNCXHIS-UHFFFAOYSA-N
XLogP2.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 70850714
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CID 170870011
N-morpholin-4-yl-1H-indazole-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one (CID 71156893) is 1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)c1ccc2c(ccc3[nH]ncc32)c1.
What is the InChIKey of 1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is HILGCIYYNCXHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-18(5-6-21-7-9-23-10-8-21)14-1-3-15-13(11-14)2-4-17-16(15)12-19-20-17/h1-4,11-12H,5-10H2,(H,19,20).
What are the key properties of 1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one?
1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 309.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzo[e]indazol-7-yl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 71156893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).