ethyl 2-chloro-7-methylquinoline-4-carboxylate

C13H12ClNO2 — CID 143772126

IUPACethyl 2-chloro-7-methylquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)nc2cc(C)ccc12
InChIInChI=1S/C13H12ClNO2/c1-3-17-13(16)10-7-12(14)15-11-6-8(2)4-5-9(10)11/h4-7H,3H2,1-2H3
InChIKeyUFUQKZVGQLDGNC-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.37
Rot. Bonds2

About ethyl 2-chloro-7-methylquinoline-4-carboxylate

ethyl 2-chloro-7-methylquinoline-4-carboxylate (PubChem CID 143772126) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is ethyl 2-chloro-7-methylquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-7-methylquinoline-4-carboxylate
PubChem CID143772126
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Nameethyl 2-chloro-7-methylquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)nc2cc(C)ccc12
InChIInChI=1S/C13H12ClNO2/c1-3-17-13(16)10-7-12(14)15-11-6-8(2)4-5-9(10)11/h4-7H,3H2,1-2H3
InChIKeyUFUQKZVGQLDGNC-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-chloro-7-fluoroquinoline-4-carboxylate
CID 170330637
ethyl 1-(2-chloro-7-methylquinolin-4-yl)oxycyclobutane-1-carboxylate
CID 142191918
ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate
CID 122705836
methyl 2-amino-7-methylquinoline-4-carboxylate
CID 84622204
ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate
CID 21050828
ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate
CID 169206457
diethyl 7-methylnaphthalene-1,3-dicarboxylate
CID 11323625
[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009329
ethyl 3-(bromomethyl)-2,6-dichloropyridine-4-carboxylate
CID 46899908
ethyl 4-[(2-chloroquinoline-4-carbonyl)amino]-3,5-dimethylbenzoate
CID 118174966
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
ethyl 5-methyl-1-propylbenzimidazole-2-carboxylate
CID 55189984

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-7-methylquinoline-4-carboxylate?
The IUPAC name of ethyl 2-chloro-7-methylquinoline-4-carboxylate (CID 143772126) is ethyl 2-chloro-7-methylquinoline-4-carboxylate.
What is the SMILES notation for ethyl 2-chloro-7-methylquinoline-4-carboxylate?
The canonical SMILES for ethyl 2-chloro-7-methylquinoline-4-carboxylate is CCOC(=O)c1cc(Cl)nc2cc(C)ccc12.
What is the InChIKey of ethyl 2-chloro-7-methylquinoline-4-carboxylate?
The InChIKey is UFUQKZVGQLDGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-3-17-13(16)10-7-12(14)15-11-6-8(2)4-5-9(10)11/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-chloro-7-methylquinoline-4-carboxylate?
ethyl 2-chloro-7-methylquinoline-4-carboxylate has a molecular weight of 249.70 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-7-methylquinoline-4-carboxylate is sourced from PubChem (CID 143772126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).