N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide

C23H13ClN2O3 — CID 1090906

IUPACN-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide
SMILESO=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccc(Cl)cc1)c1ccccn21
InChIInChI=1S/C23H13ClN2O3/c24-13-8-10-14(11-9-13)25-23(29)18-17-7-3-4-12-26(17)20-19(18)21(27)15-5-1-2-6-16(15)22(20)28/h1-12H,(H,25,29)
InChIKeyDEBCGOYLAVTZMJ-UHFFFAOYSA-N
MW400.82 g/mol
LogP4.62
Rot. Bonds2

About N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide

N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide (PubChem CID 1090906) has the molecular formula C23H13ClN2O3 and a molecular weight of 400.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide
PubChem CID1090906
Molecular FormulaC23H13ClN2O3
Molecular Weight400.82 g/mol
Exact Mass400.06
IUPAC NameN-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide
SMILESO=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccc(Cl)cc1)c1ccccn21
InChIInChI=1S/C23H13ClN2O3/c24-13-8-10-14(11-9-13)25-23(29)18-17-7-3-4-12-26(17)20-19(18)21(27)15-5-1-2-6-16(15)22(20)28/h1-12H,(H,25,29)
InChIKeyDEBCGOYLAVTZMJ-UHFFFAOYSA-N
XLogP4.62
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide 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

propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
CID 102335805
2-amino-N-(4-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 7294632
N-(4-chlorophenyl)-1-nitro-9,10-dioxoanthracene-2-carboxamide
CID 3126039
N-(4-chlorophenyl)-9-oxofluorene-2-carboxamide
CID 42064363
12-(4-chlorobenzoyl)-1-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),4,6,8,12,14,16,18,20-nonaene-3,10-dione
CID 57333331
11-acetylindolizino[3,2-g]quinoline-5,12-dione
CID 44567516
3-N-(4-chlorophenyl)-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065952
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-(3-chloro-4-fluorophenyl)-9-oxofluorene-1-carboxamide
CID 25234468
N-(4-chlorophenyl)-2,3-dioxoindole-1-carboxamide
CID 3120454
N-(4-chlorophenyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide
CID 1115342
N-(3-morpholin-4-ylpropyl)-5,12-dioxoindolizino[2,3-g]quinoline-6-carboxamide
CID 122188468

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide (CID 1090906) is N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide is O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccc(Cl)cc1)c1ccccn21.
What is the InChIKey of N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide?
The InChIKey is DEBCGOYLAVTZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClN2O3/c24-13-8-10-14(11-9-13)25-23(29)18-17-7-3-4-12-26(17)20-19(18)21(27)15-5-1-2-6-16(15)22(20)28/h1-12H,(H,25,29).
What are the key properties of N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide?
N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide has a molecular weight of 400.82 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxamide is sourced from PubChem (CID 1090906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).