ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate

C14H13ClN2O3 — CID 58946108

IUPACethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate
SMILESCCOC(=O)c1cc(C)c2ncc(C(N)=O)c(Cl)c2c1
InChIInChI=1S/C14H13ClN2O3/c1-3-20-14(19)8-4-7(2)12-9(5-8)11(15)10(6-17-12)13(16)18/h4-6H,3H2,1-2H3,(H2,16,18)
InChIKeyQIMHYBCEFUOOHY-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.47
Rot. Bonds3

About ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate

ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate (PubChem CID 58946108) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate
PubChem CID58946108
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Nameethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate
SMILESCCOC(=O)c1cc(C)c2ncc(C(N)=O)c(Cl)c2c1
InChIInChI=1S/C14H13ClN2O3/c1-3-20-14(19)8-4-7(2)12-9(5-8)11(15)10(6-17-12)13(16)18/h4-6H,3H2,1-2H3,(H2,16,18)
InChIKeyQIMHYBCEFUOOHY-UHFFFAOYSA-N
XLogP2.47
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
ethyl 4-amino-6-fluoro-8-methylquinoline-3-carboxylate
CID 54773005
methyl 4,6-dichloro-8-methylquinoline-3-carboxylate
CID 102614436
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
ethyl 6-chloro-8-methyl-4-(propylamino)quinoline-3-carboxylate
CID 63486439
ethyl 3,4,5-trichlorobenzoate
CID 14692896
ethyl 2-(4-chloro-2-methylphenyl)pyrimidine-5-carboxylate
CID 174521887
ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CID 11792955
ethyl 6-chloro-4-(2-hydroxypropylamino)-8-methylquinoline-3-carboxylate
CID 2791591
ethyl 6-fluoro-4-[2-hydroxyethyl(methyl)amino]-8-methylquinoline-3-carboxylate
CID 133381447
6-bromo-4-chloro-8-methylquinoline-3-carboxylic acid
CID 131289686
ethyl 4-chloro-3-methyl-5-nitrobenzoate
CID 70402498

Frequently Asked Questions

What is the IUPAC name of ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate?
The IUPAC name of ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate (CID 58946108) is ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate.
What is the SMILES notation for ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate?
The canonical SMILES for ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate is CCOC(=O)c1cc(C)c2ncc(C(N)=O)c(Cl)c2c1.
What is the InChIKey of ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate?
The InChIKey is QIMHYBCEFUOOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-3-20-14(19)8-4-7(2)12-9(5-8)11(15)10(6-17-12)13(16)18/h4-6H,3H2,1-2H3,(H2,16,18).
What are the key properties of ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate?
ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate has a molecular weight of 292.72 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-carbamoyl-4-chloro-8-methylquinoline-6-carboxylate is sourced from PubChem (CID 58946108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).