ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate

C19H17ClN2O3 — CID 3058687

IUPACethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(Cl)cc2)c2ccccc2n(C)c1=O
InChIInChI=1S/C19H17ClN2O3/c1-3-25-19(24)16-17(21-13-10-8-12(20)9-11-13)14-6-4-5-7-15(14)22(2)18(16)23/h4-11,21H,3H2,1-2H3
InChIKeyOHUGWYPFKAIOKS-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.11
Rot. Bonds4

About ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate

ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate (PubChem CID 3058687) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate
PubChem CID3058687
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Nameethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(Nc2ccc(Cl)cc2)c2ccccc2n(C)c1=O
InChIInChI=1S/C19H17ClN2O3/c1-3-25-19(24)16-17(21-13-10-8-12(20)9-11-13)14-6-4-5-7-15(14)22(2)18(16)23/h4-11,21H,3H2,1-2H3
InChIKeyOHUGWYPFKAIOKS-UHFFFAOYSA-N
XLogP4.11
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-1-methyl-2-oxoquinoline-3-carboxylate
CID 71010244
ethyl 4-[bis(prop-2-enyl)amino]-1-methyl-2-oxoquinoline-3-carboxylate
CID 12737473
ethyl 2-(4-chloroanilino)benzoate
CID 82535773
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54688157
1-methyl-4-(methylamino)-2-oxoquinoline-3-carboxamide
CID 141068725
ethyl 5-amino-3-(4-chloroanilino)-1-phenylpyrazole-4-carboxylate
CID 15394812
ethyl 4-(2-fluoroanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate
CID 25109868
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
CID 22159888
3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54747502
ethyl 4-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate
CID 58374879

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate (CID 3058687) is ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate is CCOC(=O)c1c(Nc2ccc(Cl)cc2)c2ccccc2n(C)c1=O.
What is the InChIKey of ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate?
The InChIKey is OHUGWYPFKAIOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-3-25-19(24)16-17(21-13-10-8-12(20)9-11-13)14-6-4-5-7-15(14)22(2)18(16)23/h4-11,21H,3H2,1-2H3.
What are the key properties of ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate?
ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate has a molecular weight of 356.81 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-chloroanilino)-1-methyl-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 3058687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).