13H-chromeno[4,3-b][1,5]benzodiazepin-6-one

C16H10N2O2 — CID 899296

IUPAC13H-chromeno[4,3-b][1,5]benzodiazepin-6-one
SMILESO=c1oc2ccccc2c2c1C=Nc1ccccc1N2
InChIInChI=1S/C16H10N2O2/c19-16-11-9-17-12-6-2-3-7-13(12)18-15(11)10-5-1-4-8-14(10)20-16/h1-9,18H
InChIKeyAUIRWLDQANQNHJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.60
Rot. Bonds

About 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one

13H-chromeno[4,3-b][1,5]benzodiazepin-6-one (PubChem CID 899296) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one.

Molecular Properties

Compound Name13H-chromeno[4,3-b][1,5]benzodiazepin-6-one
PubChem CID899296
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name13H-chromeno[4,3-b][1,5]benzodiazepin-6-one
SMILESO=c1oc2ccccc2c2c1C=Nc1ccccc1N2
InChIInChI=1S/C16H10N2O2/c19-16-11-9-17-12-6-2-3-7-13(12)18-15(11)10-5-1-4-8-14(10)20-16/h1-9,18H
InChIKeyAUIRWLDQANQNHJ-UHFFFAOYSA-N
XLogP3.60
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 13H-chromeno[4,3-b][1,5]benzodiazepin-6-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

1,2-dihydrochromeno[4,3-b]pyridin-5-one
CID 146170101
7-nitro-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one
CID 165354368
6-methylchromeno[2,3-b][1,5]benzodiazepin-13-one
CID 3054332
13-pyridin-2-yl-10-oxa-2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,15,17,19,21-nonaen-11-one
CID 2945209
2,10-dihydro-1H-cyclopenta[b][1,5]benzodiazepin-3-one
CID 45491411
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
acetaldehyde;2-methylidene-1H-quinoxaline
CID 142957624
chromeno[3,4-b]pyrazin-5-one
CID 691239
3-(triphenyl-λ5-phosphanylidene)-1H-chromeno[4,3-b]pyridine-2,4,5-trione
CID 139222180
5-hydroxy-6-oxa-2-azatricyclo[6.3.1.04,12]dodeca-1(11),2,4,8(12),9-pentaen-7-one
CID 175460541
2H-pyrano[3,2-c]chromen-5-one
CID 14174753
4-hydroxy-3-(4-hydroxy-2-oxochromen-3-yl)sulfanylchromen-2-one
CID 54703982

Frequently Asked Questions

What is the IUPAC name of 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one?
The IUPAC name of 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one (CID 899296) is 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one.
What is the SMILES notation for 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one?
The canonical SMILES for 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one is O=c1oc2ccccc2c2c1C=Nc1ccccc1N2.
What is the InChIKey of 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one?
The InChIKey is AUIRWLDQANQNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c19-16-11-9-17-12-6-2-3-7-13(12)18-15(11)10-5-1-4-8-14(10)20-16/h1-9,18H.
What are the key properties of 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one?
13H-chromeno[4,3-b][1,5]benzodiazepin-6-one has a molecular weight of 262.27 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13H-chromeno[4,3-b][1,5]benzodiazepin-6-one is sourced from PubChem (CID 899296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).