ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate

C19H16ClN3O3 — CID 39851604

IUPACethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(NC(=O)c3ccc(Cl)cc3)cc2c1N
InChIInChI=1S/C19H16ClN3O3/c1-2-26-19(25)15-10-22-16-8-7-13(9-14(16)17(15)21)23-18(24)11-3-5-12(20)6-4-11/h3-10H,2H2,1H3,(H2,21,22)(H,23,24)
InChIKeyRFIVBOFZOGOMLR-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.90
Rot. Bonds4

About ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate

ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate (PubChem CID 39851604) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate
PubChem CID39851604
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Nameethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(NC(=O)c3ccc(Cl)cc3)cc2c1N
InChIInChI=1S/C19H16ClN3O3/c1-2-26-19(25)15-10-22-16-8-7-13(9-14(16)17(15)21)23-18(24)11-3-5-12(20)6-4-11/h3-10H,2H2,1H3,(H2,21,22)(H,23,24)
InChIKeyRFIVBOFZOGOMLR-UHFFFAOYSA-N
XLogP3.90
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-6-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]quinoline-3-carboxylate
CID 39851583
ethyl 4-amino-6-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]quinoline-3-carboxylate
CID 39851612
diethyl 4-aminoquinoline-3,6-dicarboxylate
CID 17028175
ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
CID 103996712
ethyl 4-(4-aminoanilino)-6-chloroquinoline-3-carboxylate
CID 66715427
ethyl 4-amino-6-propylquinoline-3-carboxylate
CID 55044912
ethyl 4-[[6-(4-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163491
diethyl 4-(3,5-dichloroanilino)quinoline-3,6-dicarboxylate
CID 23878770
ethyl 4-(5-acetamido-2-chloroanilino)-6-chloroquinoline-3-carboxylate
CID 17016659
ethyl 2-[[6-[(4-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113037011
ethane;ethyl 4-aminoquinoline-3-carboxylate
CID 143157176

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate (CID 39851604) is ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(NC(=O)c3ccc(Cl)cc3)cc2c1N.
What is the InChIKey of ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate?
The InChIKey is RFIVBOFZOGOMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-2-26-19(25)15-10-22-16-8-7-13(9-14(16)17(15)21)23-18(24)11-3-5-12(20)6-4-11/h3-10H,2H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate?
ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate has a molecular weight of 369.81 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-[(4-chlorobenzoyl)amino]quinoline-3-carboxylate is sourced from PubChem (CID 39851604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).