ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate

C13H13ClN2O4 — CID 67083777

IUPACethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate
SMILESCCOC(=O)c1nnc2cc(OC)c(OC)cc2c1Cl
InChIInChI=1S/C13H13ClN2O4/c1-4-20-13(17)12-11(14)7-5-9(18-2)10(19-3)6-8(7)15-16-12/h5-6H,4H2,1-3H3
InChIKeyRQBSZJAYRQWXIY-UHFFFAOYSA-N
MW296.71 g/mol
LogP2.48
Rot. Bonds4

About ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate

ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate (PubChem CID 67083777) has the molecular formula C13H13ClN2O4 and a molecular weight of 296.71 g/mol. Its IUPAC name is ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate
PubChem CID67083777
Molecular FormulaC13H13ClN2O4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC Nameethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate
SMILESCCOC(=O)c1nnc2cc(OC)c(OC)cc2c1Cl
InChIInChI=1S/C13H13ClN2O4/c1-4-20-13(17)12-11(14)7-5-9(18-2)10(19-3)6-8(7)15-16-12/h5-6H,4H2,1-3H3
InChIKeyRQBSZJAYRQWXIY-UHFFFAOYSA-N
XLogP2.48
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-bromo-6,7-dimethoxyquinoxaline-2-carboxylate
CID 133060108
ethyl cyclohepta[f]indazole-3-carboxylate
CID 150801024
ethyl 4-chloro-7-fluoro-6-methoxyquinoline-3-carboxylate
CID 22136427
ethyl 1-(3,4-dimethoxybenzoyl)-6,7-dimethoxyisoquinoline-3-carboxylate
CID 11761685
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410
ethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethylbenzoate
CID 14570140
ethyl 3-amino-2-chloro-4-methoxybenzoate
CID 166071385
ethyl 3-amino-5,6-dimethoxyindazole-2-carboxylate
CID 54502475
ethyl 2-(2-bromoethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate
CID 11799673
diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735
4-chloro-6-methoxycinnoline-3-carboxylic acid
CID 83898135

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate (CID 67083777) is ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate is CCOC(=O)c1nnc2cc(OC)c(OC)cc2c1Cl.
What is the InChIKey of ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate?
The InChIKey is RQBSZJAYRQWXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4/c1-4-20-13(17)12-11(14)7-5-9(18-2)10(19-3)6-8(7)15-16-12/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate?
ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate has a molecular weight of 296.71 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6,7-dimethoxycinnoline-3-carboxylate is sourced from PubChem (CID 67083777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).