2-(dimethylamino)-N-ethylquinoline-4-carboxamide

C14H17N3O — CID 53016631

IUPAC2-(dimethylamino)-N-ethylquinoline-4-carboxamide
SMILESCCNC(=O)c1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C14H17N3O/c1-4-15-14(18)11-9-13(17(2)3)16-12-8-6-5-7-10(11)12/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyNBWGDVKUSBPFCK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.05
Rot. Bonds3

About 2-(dimethylamino)-N-ethylquinoline-4-carboxamide

2-(dimethylamino)-N-ethylquinoline-4-carboxamide (PubChem CID 53016631) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(dimethylamino)-N-ethylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-ethylquinoline-4-carboxamide
PubChem CID53016631
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(dimethylamino)-N-ethylquinoline-4-carboxamide
SMILESCCNC(=O)c1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C14H17N3O/c1-4-15-14(18)11-9-13(17(2)3)16-12-8-6-5-7-10(11)12/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyNBWGDVKUSBPFCK-UHFFFAOYSA-N
XLogP2.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]quinoline-4-carboxamide
CID 126814447
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
2-(dimethylamino)-N-(2-hydroxy-1-thiophen-3-ylethyl)quinoline-4-carboxamide
CID 119034175
2-[[N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 111775796
N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
N-[2-(dimethylamino)quinolin-4-yl]decanamide
CID 5168839
N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 84595270
N-[2-(dimethylamino)propyl]-2-hydrazinylquinoline-4-carboxamide
CID 62247663
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 9224382
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 55621271
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-ethylquinoline-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-ethylquinoline-4-carboxamide (CID 53016631) is 2-(dimethylamino)-N-ethylquinoline-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-ethylquinoline-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-ethylquinoline-4-carboxamide is CCNC(=O)c1cc(N(C)C)nc2ccccc12.
What is the InChIKey of 2-(dimethylamino)-N-ethylquinoline-4-carboxamide?
The InChIKey is NBWGDVKUSBPFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-15-14(18)11-9-13(17(2)3)16-12-8-6-5-7-10(11)12/h5-9H,4H2,1-3H3,(H,15,18).
What are the key properties of 2-(dimethylamino)-N-ethylquinoline-4-carboxamide?
2-(dimethylamino)-N-ethylquinoline-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-ethylquinoline-4-carboxamide is sourced from PubChem (CID 53016631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).