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

C19H18ClN3O2 — CID 90388523

IUPAC4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-diethyl-1,2-oxazole
SMILESCCc1noc(CC)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC
InChIInChI=1S/C19H18ClN3O2/c1-4-12-17(15(5-2)25-23-12)11-8-14-10(9-16(11)24-3)18-13(22-14)6-7-21-19(18)20/h6-9,22H,4-5H2,1-3H3
InChIKeyCKQYQLKQWQCCMP-UHFFFAOYSA-N
MW355.83 g/mol
LogP5.16
Rot. Bonds4

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

4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-diethyl-1,2-oxazole (PubChem CID 90388523) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-diethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-diethyl-1,2-oxazole
PubChem CID90388523
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-diethyl-1,2-oxazole
SMILESCCc1noc(CC)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC
InChIInChI=1S/C19H18ClN3O2/c1-4-12-17(15(5-2)25-23-12)11-8-14-10(9-16(11)24-3)18-13(22-14)6-7-21-19(18)20/h6-9,22H,4-5H2,1-3H3
InChIKeyCKQYQLKQWQCCMP-UHFFFAOYSA-N
XLogP5.16
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.83
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-diethyl-1,2-oxazole?
The IUPAC name of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-diethyl-1,2-oxazole (CID 90388523) is 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-diethyl-1,2-oxazole.
What is the SMILES notation for 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-diethyl-1,2-oxazole?
The canonical SMILES for 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-diethyl-1,2-oxazole is CCc1noc(CC)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC.
What is the InChIKey of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-diethyl-1,2-oxazole?
The InChIKey is CKQYQLKQWQCCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-4-12-17(15(5-2)25-23-12)11-8-14-10(9-16(11)24-3)18-13(22-14)6-7-21-19(18)20/h6-9,22H,4-5H2,1-3H3.
What are the key properties of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-diethyl-1,2-oxazole?
4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3,5-diethyl-1,2-oxazole has a molecular weight of 355.83 g/mol, XLogP of 5.16, 4 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)-3,5-diethyl-1,2-oxazole is sourced from PubChem (CID 90388523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).