13-chloro-8-ethylindolo[3,2-a]acridine

C21H15ClN2 — CID 101484532

IUPAC13-chloro-8-ethylindolo[3,2-a]acridine
SMILESCCn1c2ccccc2c2c3c(Cl)c4ccccc4nc3ccc21
InChIInChI=1S/C21H15ClN2/c1-2-24-17-10-6-4-8-14(17)19-18(24)12-11-16-20(19)21(22)13-7-3-5-9-15(13)23-16/h3-12H,2H2,1H3
InChIKeyWXFQXBZAIINDIJ-UHFFFAOYSA-N
MW330.82 g/mol
LogP6.17
Rot. Bonds1

About 13-chloro-8-ethylindolo[3,2-a]acridine

13-chloro-8-ethylindolo[3,2-a]acridine (PubChem CID 101484532) has the molecular formula C21H15ClN2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 13-chloro-8-ethylindolo[3,2-a]acridine.

Molecular Properties

Compound Name13-chloro-8-ethylindolo[3,2-a]acridine
PubChem CID101484532
Molecular FormulaC21H15ClN2
Molecular Weight330.82 g/mol
Exact Mass330.09
IUPAC Name13-chloro-8-ethylindolo[3,2-a]acridine
SMILESCCn1c2ccccc2c2c3c(Cl)c4ccccc4nc3ccc21
InChIInChI=1S/C21H15ClN2/c1-2-24-17-10-6-4-8-14(17)19-18(24)12-11-16-20(19)21(22)13-7-3-5-9-15(13)23-16/h3-12H,2H2,1H3
InChIKeyWXFQXBZAIINDIJ-UHFFFAOYSA-N
XLogP6.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.82
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 13-chloro-8-ethylindolo[3,2-a]acridine 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

14-ethyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 90350894
9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 122464016
(3Z,4E)-9-ethyl-3,4-di(ethylidene)carbazole
CID 145265291
9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122463997
(9-ethylcarbazol-3-yl)-trimethylstannane
CID 71421811
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
6-chloro-2-(9-ethylcarbazol-3-yl)-1,3-benzothiazole
CID 155929741
21-ethyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 20520657
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
23-ethyl-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),17,19,21-dodecaene
CID 122594993
2-(2,6-dichloroindolo[2,3-c]quinolin-7-yl)-N,N-diethylethanamine
CID 21445432

Frequently Asked Questions

What is the IUPAC name of 13-chloro-8-ethylindolo[3,2-a]acridine?
The IUPAC name of 13-chloro-8-ethylindolo[3,2-a]acridine (CID 101484532) is 13-chloro-8-ethylindolo[3,2-a]acridine.
What is the SMILES notation for 13-chloro-8-ethylindolo[3,2-a]acridine?
The canonical SMILES for 13-chloro-8-ethylindolo[3,2-a]acridine is CCn1c2ccccc2c2c3c(Cl)c4ccccc4nc3ccc21.
What is the InChIKey of 13-chloro-8-ethylindolo[3,2-a]acridine?
The InChIKey is WXFQXBZAIINDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2/c1-2-24-17-10-6-4-8-14(17)19-18(24)12-11-16-20(19)21(22)13-7-3-5-9-15(13)23-16/h3-12H,2H2,1H3.
What are the key properties of 13-chloro-8-ethylindolo[3,2-a]acridine?
13-chloro-8-ethylindolo[3,2-a]acridine has a molecular weight of 330.82 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-8-ethylindolo[3,2-a]acridine is sourced from PubChem (CID 101484532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).