ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate

C22H23N3O3 — CID 2956986

IUPACethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(C)ccc2c1Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H23N3O3/c1-5-28-22(27)19-12-23-20-14(3)13(2)6-11-18(20)21(19)25-17-9-7-16(8-10-17)24-15(4)26/h6-12H,5H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyWEWSDMDACRHQHW-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.73
Rot. Bonds5

About ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate

ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate (PubChem CID 2956986) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate
PubChem CID2956986
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Nameethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C)c(C)ccc2c1Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H23N3O3/c1-5-28-22(27)19-12-23-20-14(3)13(2)6-11-18(20)21(19)25-17-9-7-16(8-10-17)24-15(4)26/h6-12H,5H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyWEWSDMDACRHQHW-UHFFFAOYSA-N
XLogP4.73
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-acetamidoanilino)quinoline-3-carboxylate
CID 66715927
ethyl 7-chloro-4-(4-ethoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183948
ethyl 7-chloro-4-(4-methoxyanilino)-8-methylquinoline-3-carboxylate
CID 1183946
ethyl 4-(4-hydroxyanilino)-8-methylquinoline-3-carboxylate;hydrochloride
CID 2790966
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 7,8-dimethyl-4-(2-morpholin-4-ylethylamino)quinoline-3-carboxylate
CID 1088949
4-(4-acetylanilino)-3-ethoxycarbonylquinoline-8-carboxylic acid
CID 1179442
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
3-O-ethyl 8-O-methyl 4-(4-hydroxyanilino)quinoline-3,8-dicarboxylate
CID 1191451
ethyl 4-(3-hydroxyanilino)-8-methylquinoline-3-carboxylate
CID 700745
ethyl 4-(3-chloro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258432

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate (CID 2956986) is ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(C)c(C)ccc2c1Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate?
The InChIKey is WEWSDMDACRHQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-5-28-22(27)19-12-23-20-14(3)13(2)6-11-18(20)21(19)25-17-9-7-16(8-10-17)24-15(4)26/h6-12H,5H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate?
ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-acetamidoanilino)-7,8-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 2956986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).