ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate

C24H18Cl2N2O5 — CID 139086657

IUPACethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)ccc2c1-n1cc(C(=O)OCC)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C24H18Cl2N2O5/c1-3-32-23(30)17-11-27-19-9-13(25)5-7-15(19)21(17)28-12-18(24(31)33-4-2)22(29)16-8-6-14(26)10-20(16)28/h5-12H,3-4H2,1-2H3
InChIKeySCUQAFMJBSNYJK-UHFFFAOYSA-N
MW485.32 g/mol
LogP5.20
Rot. Bonds5

About ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate

ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate (PubChem CID 139086657) has the molecular formula C24H18Cl2N2O5 and a molecular weight of 485.32 g/mol. Its IUPAC name is ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate
PubChem CID139086657
Molecular FormulaC24H18Cl2N2O5
Molecular Weight485.32 g/mol
Exact Mass484.06
IUPAC Nameethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(Cl)ccc2c1-n1cc(C(=O)OCC)c(=O)c2ccc(Cl)cc21
InChIInChI=1S/C24H18Cl2N2O5/c1-3-32-23(30)17-11-27-19-9-13(25)5-7-15(19)21(17)28-12-18(24(31)33-4-2)22(29)16-8-6-14(26)10-20(16)28/h5-12H,3-4H2,1-2H3
InChIKeySCUQAFMJBSNYJK-UHFFFAOYSA-N
XLogP5.20
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.32
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 4-amino-7-chloroquinoline-3-carboxylate
CID 609428
ethyl 7-chloro-4-(3-chloroanilino)quinoline-3-carboxylate
CID 102267989
ethyl 7-chloro-1-(3,5-difluoro-2-pyridinyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 134181833
ethyl 7-chloro-1-(2,6-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 135355077
ethyl 4-chloro-7-hydroxyquinoline-3-carboxylate
CID 135735505
ethyl 7-formyl-1-methyl-4-oxoquinoline-3-carboxylate
CID 22626917
ethyl 6-chloro-4-propan-2-ylquinoline-3-carboxylate
CID 169258410
ethyl 6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylate
CID 166439322
ethyl 6-chloro-4-oxo-1-prop-2-enylquinoline-3-carboxylate
CID 166001599
ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
CID 103996712
ethyl 1-amino-6-ethoxy-4-oxoquinoline-3-carboxylate
CID 10850045
ethyl 7-chloro-1-(5-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 142434761

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate (CID 139086657) is ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cnc2cc(Cl)ccc2c1-n1cc(C(=O)OCC)c(=O)c2ccc(Cl)cc21.
What is the InChIKey of ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate?
The InChIKey is SCUQAFMJBSNYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O5/c1-3-32-23(30)17-11-27-19-9-13(25)5-7-15(19)21(17)28-12-18(24(31)33-4-2)22(29)16-8-6-14(26)10-20(16)28/h5-12H,3-4H2,1-2H3.
What are the key properties of ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate?
ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate has a molecular weight of 485.32 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-1-(7-chloro-3-ethoxycarbonylquinolin-4-yl)-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 139086657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).