ethyl 2-chloroquinoline-7-carboxylate

C12H10ClNO2 — CID 72942632

IUPACethyl 2-chloroquinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2ccc(Cl)nc2c1
InChIInChI=1S/C12H10ClNO2/c1-2-16-12(15)9-4-3-8-5-6-11(13)14-10(8)7-9/h3-7H,2H2,1H3
InChIKeyPWBLMBXLGXIVHF-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.06
Rot. Bonds2

About ethyl 2-chloroquinoline-7-carboxylate

ethyl 2-chloroquinoline-7-carboxylate (PubChem CID 72942632) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is ethyl 2-chloroquinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloroquinoline-7-carboxylate
PubChem CID72942632
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Nameethyl 2-chloroquinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2ccc(Cl)nc2c1
InChIInChI=1S/C12H10ClNO2/c1-2-16-12(15)9-4-3-8-5-6-11(13)14-10(8)7-9/h3-7H,2H2,1H3
InChIKeyPWBLMBXLGXIVHF-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.06
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 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 4-chloroquinazoline-7-carboxylate
CID 71743581
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
ethyl 1,2-dihydroxycyclobuta[b]quinoxaline-5-carboxylate
CID 135479169
ethyl 3-chloro-2H-indazole-6-carboxylate
CID 131699852
ethyl 2-chloro-3H-benzimidazole-5-carboxylate
CID 24799637
cyanomethyl 2-chloroquinoline-6-carboxylate
CID 55730303
ethyl 6-aminonaphthalene-2-carboxylate
CID 58111738
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
methyl 2-aminoquinoline-7-carboxylate
CID 118266696
ethyl 2-(chloromethyl)-3H-benzimidazole-5-carboxylate;hydrochloride
CID 166000746
ethyl 2-bromo-1,3-benzoxazole-5-carboxylate
CID 131612632

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloroquinoline-7-carboxylate?
The IUPAC name of ethyl 2-chloroquinoline-7-carboxylate (CID 72942632) is ethyl 2-chloroquinoline-7-carboxylate.
What is the SMILES notation for ethyl 2-chloroquinoline-7-carboxylate?
The canonical SMILES for ethyl 2-chloroquinoline-7-carboxylate is CCOC(=O)c1ccc2ccc(Cl)nc2c1.
What is the InChIKey of ethyl 2-chloroquinoline-7-carboxylate?
The InChIKey is PWBLMBXLGXIVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-2-16-12(15)9-4-3-8-5-6-11(13)14-10(8)7-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-chloroquinoline-7-carboxylate?
ethyl 2-chloroquinoline-7-carboxylate has a molecular weight of 235.67 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloroquinoline-7-carboxylate is sourced from PubChem (CID 72942632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).