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

C22H22N2O3 — CID 1190556

IUPACethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C22H22N2O3/c1-5-27-22(26)19-12-23-20-14(3)10-13(2)11-18(20)21(19)24-17-8-6-16(7-9-17)15(4)25/h6-12H,5H2,1-4H3,(H,23,24)
InChIKeyOAJBHLHKVONAMP-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.97
Rot. Bonds5

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

ethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate (PubChem CID 1190556) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is ethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate
PubChem CID1190556
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Nameethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C22H22N2O3/c1-5-27-22(26)19-12-23-20-14(3)10-13(2)11-18(20)21(19)24-17-8-6-16(7-9-17)15(4)25/h6-12H,5H2,1-4H3,(H,23,24)
InChIKeyOAJBHLHKVONAMP-UHFFFAOYSA-N
XLogP4.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate (CID 1190556) is ethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(C(C)=O)cc1.
What is the InChIKey of ethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate?
The InChIKey is OAJBHLHKVONAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-5-27-22(26)19-12-23-20-14(3)10-13(2)11-18(20)21(19)24-17-8-6-16(7-9-17)15(4)25/h6-12H,5H2,1-4H3,(H,23,24).
What are the key properties of ethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate?
ethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-acetylanilino)-6,8-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 1190556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).