ethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate

C22H24N2O4 — CID 1187221

IUPACethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H24N2O4/c1-6-28-22(25)17-12-23-20-14(3)9-13(2)10-16(20)21(17)24-15-7-8-18(26-4)19(11-15)27-5/h7-12H,6H2,1-5H3,(H,23,24)
InChIKeyMSGARPVVCYTSLR-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.79
Rot. Bonds6

About ethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate

ethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate (PubChem CID 1187221) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is ethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate
PubChem CID1187221
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Nameethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C22H24N2O4/c1-6-28-22(25)17-12-23-20-14(3)9-13(2)10-16(20)21(17)24-15-7-8-18(26-4)19(11-15)27-5/h7-12H,6H2,1-5H3,(H,23,24)
InChIKeyMSGARPVVCYTSLR-UHFFFAOYSA-N
XLogP4.79
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate (CID 1187221) is ethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate?
The InChIKey is MSGARPVVCYTSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-6-28-22(25)17-12-23-20-14(3)9-13(2)10-16(20)21(17)24-15-7-8-18(26-4)19(11-15)27-5/h7-12H,6H2,1-5H3,(H,23,24).
What are the key properties of ethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate?
ethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dimethoxyanilino)-6,8-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 1187221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).