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3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde

C17H17FN4O2 — CID 155072549

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde
SMILESO=CN1Cc2cc(F)cnc2Nc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C17H17FN4O2/c18-13-7-12-10-22(11-23)16-8-14(21-3-5-24-6-4-21)1-2-15(16)20-17(12)19-9-13/h1-2,7-9,11H,3-6,10H2,(H,19,20)
InChIKeyGCJWOOVNUIAHRA-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.28
Rot. Bonds2

About 3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde

3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde (PubChem CID 155072549) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde.

Molecular Properties

Compound Name3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde
PubChem CID155072549
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde
SMILESO=CN1Cc2cc(F)cnc2Nc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C17H17FN4O2/c18-13-7-12-10-22(11-23)16-8-14(21-3-5-24-6-4-21)1-2-15(16)20-17(12)19-9-13/h1-2,7-9,11H,3-6,10H2,(H,19,20)
InChIKeyGCJWOOVNUIAHRA-UHFFFAOYSA-N
XLogP2.28
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde?
The IUPAC name of 3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde (CID 155072549) is 3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde.
What is the SMILES notation for 3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde?
The canonical SMILES for 3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde is O=CN1Cc2cc(F)cnc2Nc2ccc(N3CCOCC3)cc21.
What is the InChIKey of 3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde?
The InChIKey is GCJWOOVNUIAHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c18-13-7-12-10-22(11-23)16-8-14(21-3-5-24-6-4-21)1-2-15(16)20-17(12)19-9-13/h1-2,7-9,11H,3-6,10H2,(H,19,20).
What are the key properties of 3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde?
3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde has a molecular weight of 328.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbaldehyde is sourced from PubChem (CID 155072549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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