4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole

C18H16ClN3O2 — CID 90388046

IUPAC4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC
InChIInChI=1S/C18H16ClN3O2/c1-4-14-16(9(2)22-24-14)11-7-13-10(8-15(11)23-3)17-12(21-13)5-6-20-18(17)19/h5-8,21H,4H2,1-3H3
InChIKeyCOGXANVMWYYUMM-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.90
Rot. Bonds3

About 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole

4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole (PubChem CID 90388046) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole
PubChem CID90388046
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC
InChIInChI=1S/C18H16ClN3O2/c1-4-14-16(9(2)22-24-14)11-7-13-10(8-15(11)23-3)17-12(21-13)5-6-20-18(17)19/h5-8,21H,4H2,1-3H3
InChIKeyCOGXANVMWYYUMM-UHFFFAOYSA-N
XLogP4.90
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole?
The IUPAC name of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole (CID 90388046) is 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole?
The canonical SMILES for 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole is CCc1onc(C)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC.
What is the InChIKey of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole?
The InChIKey is COGXANVMWYYUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-4-14-16(9(2)22-24-14)11-7-13-10(8-15(11)23-3)17-12(21-13)5-6-20-18(17)19/h5-8,21H,4H2,1-3H3.
What are the key properties of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole?
4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole has a molecular weight of 341.80 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-5-ethyl-3-methyl-1,2-oxazole is sourced from PubChem (CID 90388046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).