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

C16H22N4O — CID 62640770

IUPAC2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
SMILESCC(C)N(C)CCNC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C16H22N4O/c1-11(2)20(3)9-8-18-16(21)13-10-15(17)19-14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19)(H,18,21)
InChIKeyLYTYDEQRHUWYGS-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.89
Rot. Bonds5

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

2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide (PubChem CID 62640770) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
PubChem CID62640770
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide
SMILESCC(C)N(C)CCNC(=O)c1cc(N)nc2ccccc12
InChIInChI=1S/C16H22N4O/c1-11(2)20(3)9-8-18-16(21)13-10-15(17)19-14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19)(H,18,21)
InChIKeyLYTYDEQRHUWYGS-UHFFFAOYSA-N
XLogP1.89
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-sulfamoylethyl)quinoline-4-carboxamide
CID 62155502
2-amino-N-(4-methylpentyl)quinoline-4-carboxamide
CID 63002970
2-amino-N-(2-methylsulfonylethyl)quinoline-4-carboxamide
CID 62152474
2-amino-N-[2-(2-methoxyethoxy)ethyl]quinoline-4-carboxamide
CID 62160032
N-[2-(dimethylamino)propyl]-2-hydrazinylquinoline-4-carboxamide
CID 62247663
2-amino-N-methyl-N-(3-methylbutyl)quinoline-4-carboxamide
CID 62185839
2-amino-N-(4,4,4-trifluorobutyl)quinoline-4-carboxamide
CID 115522077
2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide
CID 62154754
2-amino-N-ethyl-N-propan-2-ylquinoline-4-carboxamide
CID 62154240
2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide
CID 64643078
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 107075161

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide (CID 62640770) is 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide is CC(C)N(C)CCNC(=O)c1cc(N)nc2ccccc12.
What is the InChIKey of 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide?
The InChIKey is LYTYDEQRHUWYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11(2)20(3)9-8-18-16(21)13-10-15(17)19-14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H2,17,19)(H,18,21).
What are the key properties of 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide?
2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 62640770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).