13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione

C18H13N3O2 — CID 45272779

IUPAC13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione
SMILESCn1c(N)c2ccccc2nc2c(=O)c3ccccc3c(=O)c1=2
InChIInChI=1S/C18H13N3O2/c1-21-15-14(20-13-9-5-4-8-12(13)18(21)19)16(22)10-6-2-3-7-11(10)17(15)23/h2-9H,19H2,1H3
InChIKeyHMWJSZLLGGZKNO-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.75
Rot. Bonds

About 13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione

13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione (PubChem CID 45272779) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione.

Molecular Properties

Compound Name13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione
PubChem CID45272779
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione
SMILESCn1c(N)c2ccccc2nc2c(=O)c3ccccc3c(=O)c1=2
InChIInChI=1S/C18H13N3O2/c1-21-15-14(20-13-9-5-4-8-12(13)18(21)19)16(22)10-6-2-3-7-11(10)17(15)23/h2-9H,19H2,1H3
InChIKeyHMWJSZLLGGZKNO-UHFFFAOYSA-N
XLogP1.75
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione 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

2-Dimethylamino-1,4-naphthoquinone
CID 16870
1,4-Naphthalenedione, 2-methyl-3-(methylamino)-
CID 780044
2-[4-[Aminomethyl(3-phenylpropyl)amino]butylamino]-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
CID 155529726
2-(Methylamino)-3-(1-piperidinyl)-1,4-naphthalenedione
CID 2833925
2-Methylamino-3-amino-1,4-naphthoquinone
CID 12408758
2,3-Di(methylamino)-1,4-naphthoquinone
CID 12256241
1,3-Dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione
CID 10444409
2-Dimethylamino-3-amino-1,4-naphthoquinone
CID 12408752
(4E)-2-(Butylamino)-4-(butylimino)naphthalen-1(4H)-one
CID 21608800
2-(Pentylamino)-4-pentyliminonaphthalen-1-one
CID 134936913
2-(Dimethylamino)-3-methylnaphthalene-1,4-dione
CID 15051414
2,3-Bis(dimethylamino)naphthalene-1,4-dione
CID 101652653

Frequently Asked Questions

What is the IUPAC name of 13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione?
The IUPAC name of 13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione (CID 45272779) is 13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione.
What is the SMILES notation for 13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione?
The canonical SMILES for 13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione is Cn1c(N)c2ccccc2nc2c(=O)c3ccccc3c(=O)c1=2.
What is the InChIKey of 13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione?
The InChIKey is HMWJSZLLGGZKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-21-15-14(20-13-9-5-4-8-12(13)18(21)19)16(22)10-6-2-3-7-11(10)17(15)23/h2-9H,19H2,1H3.
What are the key properties of 13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione?
13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione has a molecular weight of 303.32 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-amino-12-methylnaphtho[2,3-b][1,4]benzodiazepine-6,11-dione is sourced from PubChem (CID 45272779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).