2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide

C20H22N4O — CID 70718889

IUPAC2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCNc2ncccc2C)c2cccc(C)c2n1
InChIInChI=1S/C20H22N4O/c1-13-6-4-8-16-17(12-15(3)24-18(13)16)20(25)23-11-10-22-19-14(2)7-5-9-21-19/h4-9,12H,10-11H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyWRAIEVJGLNARSM-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.40
Rot. Bonds5

About 2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide

2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide (PubChem CID 70718889) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide
PubChem CID70718889
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCNc2ncccc2C)c2cccc(C)c2n1
InChIInChI=1S/C20H22N4O/c1-13-6-4-8-16-17(12-15(3)24-18(13)16)20(25)23-11-10-22-19-14(2)7-5-9-21-19/h4-9,12H,10-11H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyWRAIEVJGLNARSM-UHFFFAOYSA-N
XLogP3.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide
CID 46993368
N-[(3S)-3-imidazol-1-ylbutyl]-2,8-dimethylquinoline-4-carboxamide
CID 96579004
8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
CID 110489274
2,8-dimethyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 46997083
2,8-dimethyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]quinoline-4-carboxamide
CID 95194938
N-(2-hydroxyethyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 5033603
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide
CID 91784355
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146037965
N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489287
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide
CID 11856359
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide
CID 51586879

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide?
The IUPAC name of 2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide (CID 70718889) is 2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCCNc2ncccc2C)c2cccc(C)c2n1.
What is the InChIKey of 2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide?
The InChIKey is WRAIEVJGLNARSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-6-4-8-16-17(12-15(3)24-18(13)16)20(25)23-11-10-22-19-14(2)7-5-9-21-19/h4-9,12H,10-11H2,1-3H3,(H,21,22)(H,23,25).
What are the key properties of 2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide?
2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 70718889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).