ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate

C14H13N3O2 — CID 53264523

IUPACethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C#N)cccc2c1NC
InChIInChI=1S/C14H13N3O2/c1-3-19-14(18)11-8-17-12-9(7-15)5-4-6-10(12)13(11)16-2/h4-6,8H,3H2,1-2H3,(H,16,17)
InChIKeyPGBWCBCAGHTVBZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.32
Rot. Bonds3

About ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate

ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate (PubChem CID 53264523) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate
PubChem CID53264523
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Nameethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(C#N)cccc2c1NC
InChIInChI=1S/C14H13N3O2/c1-3-19-14(18)11-8-17-12-9(7-15)5-4-6-10(12)13(11)16-2/h4-6,8H,3H2,1-2H3,(H,16,17)
InChIKeyPGBWCBCAGHTVBZ-UHFFFAOYSA-N
XLogP2.32
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 8-cyano-4-(4-ethoxycarbonylanilino)quinoline-3-carboxylate
CID 17016669
ethyl 4-hydrazinyl-8-iodoquinoline-3-carboxylate
CID 62250848
ethyl 4-(methylamino)-[1]benzofuro[3,2-b]pyridine-3-carboxylate
CID 10492258
ethyl 4-hydrazinyl-8-propan-2-ylquinoline-3-carboxylate
CID 62252346
3-O-ethyl 7-O-methyl 4-(methylamino)quinoline-3,7-dicarboxylate
CID 46397906
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
ethyl 8-methoxy-6-methyl-4-(methylamino)quinoline-3-carboxylate
CID 54773049
ethyl 8-chloro-4-(4-methylanilino)quinoline-3-carboxylate
CID 709130
ethyl 4-(3-ethoxycarbonylanilino)-8-ethylquinoline-3-carboxylate
CID 23734415
ethyl 7-cyano-1-benzofuran-3-carboxylate
CID 169234926
methyl 8-bromo-4-(methylamino)quinoline-3-carboxylate
CID 102614849
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974

Frequently Asked Questions

What is the IUPAC name of ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate (CID 53264523) is ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(C#N)cccc2c1NC.
What is the InChIKey of ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate?
The InChIKey is PGBWCBCAGHTVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-3-19-14(18)11-8-17-12-9(7-15)5-4-6-10(12)13(11)16-2/h4-6,8H,3H2,1-2H3,(H,16,17).
What are the key properties of ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate?
ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate has a molecular weight of 255.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-cyano-4-(methylamino)quinoline-3-carboxylate is sourced from PubChem (CID 53264523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).