2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium

C19H15N2O2V- — CID 59799530

IUPAC2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium
SMILESC[N-]CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.[V]
InChIInChI=1S/C19H15N2O2.V/c1-20-10-11-21-17-13-7-3-4-8-14(13)18(22)16(17)12-6-2-5-9-15(12)19(21)23;/h2-9H,10-11H2,1H3;/q-1;
InChIKeyUROLDMXRFGIDAW-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.21
Rot. Bonds3

About 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium

2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium (PubChem CID 59799530) has the molecular formula C19H15N2O2V- and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium.

Molecular Properties

Compound Name2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium
PubChem CID59799530
Molecular FormulaC19H15N2O2V-
Molecular Weight354.29 g/mol
Exact Mass354.06
IUPAC Name2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium
SMILESC[N-]CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.[V]
InChIInChI=1S/C19H15N2O2.V/c1-20-10-11-21-17-13-7-3-4-8-14(13)18(22)16(17)12-6-2-5-9-15(12)19(21)23;/h2-9H,10-11H2,1H3;/q-1;
InChIKeyUROLDMXRFGIDAW-UHFFFAOYSA-N
XLogP3.21
TPSA53.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

6-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 158110774
6-(3-bromopropyl)indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 91061389
6-[3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 54581116
6-(2-piperazin-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 11291330
6-(cyclopropylmethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 2826374
6-(2-imidazol-1-ylethyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 127252618
6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127254868
6-[2-(3,4-dihydroxyphenyl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127252797
6-[2-(1H-imidazol-5-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127253238
2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide
CID 52946484
3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl 2-aminoacetate;hydrochloride
CID 52949231
6-[2-(2-hydroxyethylamino)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 67872285

Frequently Asked Questions

What is the IUPAC name of 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium?
The IUPAC name of 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium (CID 59799530) is 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium.
What is the SMILES notation for 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium?
The canonical SMILES for 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium is C[N-]CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.[V].
What is the InChIKey of 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium?
The InChIKey is UROLDMXRFGIDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N2O2.V/c1-20-10-11-21-17-13-7-3-4-8-14(13)18(22)16(17)12-6-2-5-9-15(12)19(21)23;/h2-9H,10-11H2,1H3;/q-1;.
What are the key properties of 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium?
2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium has a molecular weight of 354.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl-methylazanide;vanadium is sourced from PubChem (CID 59799530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).