2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane

C19H22N4O — CID 121389486

IUPAC2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane
SMILESc1cnc2c(c1)CNc1cc(N3CC4(CCCOC4)C3)ccc1N2
InChIInChI=1S/C19H22N4O/c1-3-14-10-21-17-9-15(4-5-16(17)22-18(14)20-7-1)23-11-19(12-23)6-2-8-24-13-19/h1,3-5,7,9,21H,2,6,8,10-13H2,(H,20,22)
InChIKeyZABMVNHQHQRBKZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.37
Rot. Bonds1

About 2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane

2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane (PubChem CID 121389486) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane
PubChem CID121389486
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane
SMILESc1cnc2c(c1)CNc1cc(N3CC4(CCCOC4)C3)ccc1N2
InChIInChI=1S/C19H22N4O/c1-3-14-10-21-17-9-15(4-5-16(17)22-18(14)20-7-1)23-11-19(12-23)6-2-8-24-13-19/h1,3-5,7,9,21H,2,6,8,10-13H2,(H,20,22)
InChIKeyZABMVNHQHQRBKZ-UHFFFAOYSA-N
XLogP3.37
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-3-oxa-8-azabicyclo[3.2.1]octane;molecular hydrogen
CID 145094752
1-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)pyrrolidin-2-one
CID 154974464
4-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-2-pyridin-3-ylmorpholine
CID 154974491
8-bromo-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
CID 121379663
8-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
CID 121389643
(1S)-5-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-1-methyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 146175096
4-(6-nitroso-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-8-yl)morpholine
CID 145094922
2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane
CID 79677672
8-(1,4-dioxan-2-yl)-9-fluoro-6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepine
CID 145303950
(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
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
(8-morpholin-4-yl-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-[(2R)-oxan-2-yl]methanone
CID 154974372

Frequently Asked Questions

What is the IUPAC name of 2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane (CID 121389486) is 2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane is c1cnc2c(c1)CNc1cc(N3CC4(CCCOC4)C3)ccc1N2.
What is the InChIKey of 2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane?
The InChIKey is ZABMVNHQHQRBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-14-10-21-17-9-15(4-5-16(17)22-18(14)20-7-1)23-11-19(12-23)6-2-8-24-13-19/h1,3-5,7,9,21H,2,6,8,10-13H2,(H,20,22).
What are the key properties of 2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane?
2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane has a molecular weight of 322.41 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,11-dihydro-5H-pyrido[3,2-c][1,5]benzodiazepin-8-yl)-6-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 121389486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).