6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one

C13H14N2O — CID 135300900

IUPAC6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one
SMILESO=C1c2ccccc2NCC2CCC=CN12
InChIInChI=1S/C13H14N2O/c16-13-11-6-1-2-7-12(11)14-9-10-5-3-4-8-15(10)13/h1-2,4,6-8,10,14H,3,5,9H2
InChIKeyFVJOFMUTHRFWPN-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.23
Rot. Bonds

About 6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one

6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one (PubChem CID 135300900) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one.

Molecular Properties

Compound Name6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one
PubChem CID135300900
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one
SMILESO=C1c2ccccc2NCC2CCC=CN12
InChIInChI=1S/C13H14N2O/c16-13-11-6-1-2-7-12(11)14-9-10-5-3-4-8-15(10)13/h1-2,4,6-8,10,14H,3,5,9H2
InChIKeyFVJOFMUTHRFWPN-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6,6a,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 23574486
(6aS,8E)-8-propylidene-6,6a,7,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 54764240
2-cyclohex-3-en-1-ylisoindole-1,3-dione
CID 67304537
3-methyl-2,3-dihydro-1H-quinolin-4-one
CID 14714861
6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzoxazepin-11-one
CID 170308294
(2R)-3-cyclopropyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 9008857
3-amino-2-methyl-1,2-dihydroquinazolin-4-one
CID 126639334
1,7,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 13128360
N-methyl-11-oxo-5,5a-dihydropyrido[2,1-b]quinazoline-7-carboxamide
CID 10800993
4-hydroxy-3,3a,10,10a-tetrahydrocyclopenta[b][1,4]benzodiazepin-5-one
CID 75084297
(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 51454335
5,5a,6,11-tetrahydroisoquinolino[3,2-b]quinazolin-13-one
CID 3576033

Frequently Asked Questions

What is the IUPAC name of 6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one?
The IUPAC name of 6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one (CID 135300900) is 6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one.
What is the SMILES notation for 6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one?
The canonical SMILES for 6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one is O=C1c2ccccc2NCC2CCC=CN12.
What is the InChIKey of 6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one?
The InChIKey is FVJOFMUTHRFWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-13-11-6-1-2-7-12(11)14-9-10-5-3-4-8-15(10)13/h1-2,4,6-8,10,14H,3,5,9H2.
What are the key properties of 6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one?
6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one has a molecular weight of 214.27 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a,7,8-tetrahydro-5H-pyrido[2,1-c][1,4]benzodiazepin-12-one is sourced from PubChem (CID 135300900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).