4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine

C16H17N5O2 — CID 145094922

IUPAC4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine
SMILESO=NN1Cc2cccnc2Nc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C16H17N5O2/c22-19-21-11-12-2-1-5-17-16(12)18-14-4-3-13(10-15(14)21)20-6-8-23-9-7-20/h1-5,10H,6-9,11H2,(H,17,18)
InChIKeyLVFVWFNEDYZNPJ-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.66
Rot. Bonds2

About 4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine

4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine (PubChem CID 145094922) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine.

Molecular Properties

Compound Name4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine
PubChem CID145094922
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine
SMILESO=NN1Cc2cccnc2Nc2ccc(N3CCOCC3)cc21
InChIInChI=1S/C16H17N5O2/c22-19-21-11-12-2-1-5-17-16(12)18-14-4-3-13(10-15(14)21)20-6-8-23-9-7-20/h1-5,10H,6-9,11H2,(H,17,18)
InChIKeyLVFVWFNEDYZNPJ-UHFFFAOYSA-N
XLogP2.66
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxyspiro[3.3]heptan-6-yl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 177371385
(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-[(2R)-oxan-2-yl]methanone
CID 154974372
(8-methoxy-3-bicyclo[3.2.1]octanyl)-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 121383119
[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 121389874
(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-[4-(2,2,2-trifluoroethoxy)cyclohexyl]methanone
CID 121389497
[4-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]cyclohexyl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 121389634
[4-(methoxymethyl)cyclohexyl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 121389585
[(1R,2S,4R,5S)-4-ethyl-2,5-dimethylcyclohexyl]-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone
CID 146175039
(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-[1-(1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanone
CID 121389831
cyclohexyl-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)methanone;(3R)-3-fluoropyrrolidine
CID 145094646
7,7,7-trifluoro-2-methyl-1-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)heptan-1-one
CID 145094748
N-[4-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexyl]-N-(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)hydroxylamine
CID 162575802

Frequently Asked Questions

What is the IUPAC name of 4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine?
The IUPAC name of 4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine (CID 145094922) is 4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine.
What is the SMILES notation for 4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine?
The canonical SMILES for 4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine is O=NN1Cc2cccnc2Nc2ccc(N3CCOCC3)cc21.
What is the InChIKey of 4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine?
The InChIKey is LVFVWFNEDYZNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c22-19-21-11-12-2-1-5-17-16(12)18-14-4-3-13(10-15(14)21)20-6-8-23-9-7-20/h1-5,10H,6-9,11H2,(H,17,18).
What are the key properties of 4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine?
4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine has a molecular weight of 311.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine is sourced from PubChem (CID 145094922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).