[2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone

C23H23ClN2O2 — CID 1218682

IUPAC[2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C23H23ClN2O2/c1-14-11-15(2)21-19(12-14)20(23(27)26-7-9-28-10-8-26)16(3)22(25-21)17-5-4-6-18(24)13-17/h4-6,11-13H,7-10H2,1-3H3
InChIKeyMUTLVPOQDNOFDT-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.95
Rot. Bonds2

About [2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone

[2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 1218682) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID1218682
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name[2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C23H23ClN2O2/c1-14-11-15(2)21-19(12-14)20(23(27)26-7-9-28-10-8-26)16(3)22(25-21)17-5-4-6-18(24)13-17/h4-6,11-13H,7-10H2,1-3H3
InChIKeyMUTLVPOQDNOFDT-UHFFFAOYSA-N
XLogP4.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone (CID 1218682) is [2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone is Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)N3CCOCC3)c2c1.
What is the InChIKey of [2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is MUTLVPOQDNOFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-14-11-15(2)21-19(12-14)20(23(27)26-7-9-28-10-8-26)16(3)22(25-21)17-5-4-6-18(24)13-17/h4-6,11-13H,7-10H2,1-3H3.
What are the key properties of [2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone?
[2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 394.90 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1218682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).