6-ethyl-2-(methylamino)quinoline-4-carbonitrile

C13H13N3 — CID 84621553

IUPAC6-ethyl-2-(methylamino)quinoline-4-carbonitrile
SMILESCCc1ccc2nc(NC)cc(C#N)c2c1
InChIInChI=1S/C13H13N3/c1-3-9-4-5-12-11(6-9)10(8-14)7-13(15-2)16-12/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyVMULBACKWWAMKA-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.71
Rot. Bonds2

About 6-ethyl-2-(methylamino)quinoline-4-carbonitrile

6-ethyl-2-(methylamino)quinoline-4-carbonitrile (PubChem CID 84621553) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 6-ethyl-2-(methylamino)quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-ethyl-2-(methylamino)quinoline-4-carbonitrile
PubChem CID84621553
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name6-ethyl-2-(methylamino)quinoline-4-carbonitrile
SMILESCCc1ccc2nc(NC)cc(C#N)c2c1
InChIInChI=1S/C13H13N3/c1-3-9-4-5-12-11(6-9)10(8-14)7-13(15-2)16-12/h4-7H,3H2,1-2H3,(H,15,16)
InChIKeyVMULBACKWWAMKA-UHFFFAOYSA-N
XLogP2.71
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-N,4-dimethylquinolin-2-amine
CID 84619685
6-ethyl-4-hydrazinylquinoline-3-carbonitrile
CID 62251966
6-(bromomethyl)-2-methylquinoline-4-carbonitrile
CID 14991280
6-butyl-2-methylquinoline-4-carbonitrile
CID 82573302
7-(methylamino)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carbonitrile
CID 84629981
6-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]quinoline-4-carbonitrile
CID 133434714
6-chloro-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]quinoline-4-carbonitrile
CID 133429186
6-ethyl-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62201831
6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile
CID 133304489
2-[[(2S)-1-hydroxybutan-2-yl]amino]-6-nitroquinoline-4-carbonitrile
CID 133434507
(2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide
CID 99783817
2-[3-(hydroxymethyl)pentan-3-ylamino]quinoline-4-carbonitrile
CID 63884076

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(methylamino)quinoline-4-carbonitrile?
The IUPAC name of 6-ethyl-2-(methylamino)quinoline-4-carbonitrile (CID 84621553) is 6-ethyl-2-(methylamino)quinoline-4-carbonitrile.
What is the SMILES notation for 6-ethyl-2-(methylamino)quinoline-4-carbonitrile?
The canonical SMILES for 6-ethyl-2-(methylamino)quinoline-4-carbonitrile is CCc1ccc2nc(NC)cc(C#N)c2c1.
What is the InChIKey of 6-ethyl-2-(methylamino)quinoline-4-carbonitrile?
The InChIKey is VMULBACKWWAMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-3-9-4-5-12-11(6-9)10(8-14)7-13(15-2)16-12/h4-7H,3H2,1-2H3,(H,15,16).
What are the key properties of 6-ethyl-2-(methylamino)quinoline-4-carbonitrile?
6-ethyl-2-(methylamino)quinoline-4-carbonitrile has a molecular weight of 211.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(methylamino)quinoline-4-carbonitrile is sourced from PubChem (CID 84621553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).