N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide

C16H22N4O — CID 62640042

IUPACN-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
SMILESCCN(C)CCNC(=O)c1cc(NC)nc2ccccc12
InChIInChI=1S/C16H22N4O/c1-4-20(3)10-9-18-16(21)13-11-15(17-2)19-14-8-6-5-7-12(13)14/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyMWYHEFHTVCALIV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.96
Rot. Bonds6

About N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide

N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide (PubChem CID 62640042) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
PubChem CID62640042
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
SMILESCCN(C)CCNC(=O)c1cc(NC)nc2ccccc12
InChIInChI=1S/C16H22N4O/c1-4-20(3)10-9-18-16(21)13-11-15(17-2)19-14-8-6-5-7-12(13)14/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyMWYHEFHTVCALIV-UHFFFAOYSA-N
XLogP1.96
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide
CID 115650076
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)benzamide
CID 62636522
N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 20854638
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
CID 62640770
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634614
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
N-(2-acetamidoethyl)-2-hydrazinylquinoline-4-carboxamide
CID 62241412
N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide
CID 62170948
N-[2-(dimethylamino)propyl]-2-hydrazinylquinoline-4-carboxamide
CID 62247663
2-hydrazinyl-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 62235922

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide (CID 62640042) is N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide is CCN(C)CCNC(=O)c1cc(NC)nc2ccccc12.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide?
The InChIKey is MWYHEFHTVCALIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-20(3)10-9-18-16(21)13-11-15(17-2)19-14-8-6-5-7-12(13)14/h5-8,11H,4,9-10H2,1-3H3,(H,17,19)(H,18,21).
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide?
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide is sourced from PubChem (CID 62640042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).