2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione

C28H17NO3 — CID 57333081

IUPAC2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione
SMILESCc1ccn2c3c(c(C(=O)c4ccc5ccccc5c4)c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C28H17NO3/c1-16-12-13-29-22(14-16)23(26(30)19-11-10-17-6-2-3-7-18(17)15-19)24-25(29)28(32)21-9-5-4-8-20(21)27(24)31/h2-15H,1H3
InChIKeyIMXLTGICXREPEU-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.41
Rot. Bonds2

About 2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione

2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione (PubChem CID 57333081) has the molecular formula C28H17NO3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione.

Molecular Properties

Compound Name2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione
PubChem CID57333081
Molecular FormulaC28H17NO3
Molecular Weight415.45 g/mol
Exact Mass415.12
IUPAC Name2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione
SMILESCc1ccn2c3c(c(C(=O)c4ccc5ccccc5c4)c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C28H17NO3/c1-16-12-13-29-22(14-16)23(26(30)19-11-10-17-6-2-3-7-18(17)15-19)24-25(29)28(32)21-9-5-4-8-20(21)27(24)31/h2-15H,1H3
InChIKeyIMXLTGICXREPEU-UHFFFAOYSA-N
XLogP5.41
TPSA55.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-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

12-acetyl-2-ethylnaphtho[2,3-b]indolizine-6,11-dione
CID 7728366
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
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
dinaphthalen-2-ylmethanone
CID 10945915
3-benzoyl-1,2-dimethylbenzo[f]indole-4,9-dione
CID 10711417
propyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
CID 102335805
anthracene-9,10-dione;2-methylanthracene
CID 159482173
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
7-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742900
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
(3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone
CID 13451233
8-methoxy-5-(naphthalene-2-carbonyl)pyrrolo[1,2-b]isoquinoline-6,9-dione
CID 162767300

Frequently Asked Questions

What is the IUPAC name of 2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione?
The IUPAC name of 2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione (CID 57333081) is 2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione.
What is the SMILES notation for 2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione?
The canonical SMILES for 2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione is Cc1ccn2c3c(c(C(=O)c4ccc5ccccc5c4)c2c1)C(=O)c1ccccc1C3=O.
What is the InChIKey of 2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione?
The InChIKey is IMXLTGICXREPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17NO3/c1-16-12-13-29-22(14-16)23(26(30)19-11-10-17-6-2-3-7-18(17)15-19)24-25(29)28(32)21-9-5-4-8-20(21)27(24)31/h2-15H,1H3.
What are the key properties of 2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione?
2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione has a molecular weight of 415.45 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-12-(naphthalene-2-carbonyl)naphtho[2,3-b]indolizine-6,11-dione is sourced from PubChem (CID 57333081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).