N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide

C21H30N2O — CID 126543972

IUPACN-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide
SMILESCNC(=O)c1cccc2nc(C(C)(C(C)(C)C)C(C)(C)C)ccc12
InChIInChI=1S/C21H30N2O/c1-19(2,3)21(7,20(4,5)6)17-13-12-14-15(18(24)22-8)10-9-11-16(14)23-17/h9-13H,1-8H3,(H,22,24)
InChIKeyGNTHZLPIQXVNFM-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.94
Rot. Bonds2

About N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide

N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide (PubChem CID 126543972) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide
PubChem CID126543972
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC NameN-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide
SMILESCNC(=O)c1cccc2nc(C(C)(C(C)(C)C)C(C)(C)C)ccc12
InChIInChI=1S/C21H30N2O/c1-19(2,3)21(7,20(4,5)6)17-13-12-14-15(18(24)22-8)10-9-11-16(14)23-17/h9-13H,1-8H3,(H,22,24)
InChIKeyGNTHZLPIQXVNFM-UHFFFAOYSA-N
XLogP4.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(methylcarbamoyl)naphthalene-2-sulfonic acid
CID 163232980
N-methylphenazine-1-carboxamide
CID 4257706
ethane;ethyl 2-[[2-(trifluoromethyl)quinoline-5-carbonyl]amino]acetate
CID 143627574
2-[(2-methoxy-2-methylpropyl)amino]quinoline-5-carboxylic acid
CID 104762233
2-(5,6-difluoro-7-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
CID 118449048
7-bromo-N-methylnaphthalene-1-carboxamide
CID 178046455
3-(1H-benzimidazol-2-yl)-2-methoxy-N-methylbenzamide
CID 90027418
2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-N-methylquinoline-5-carboxamide
CID 126503010
4-N,7-N-dimethyl-1,10-phenanthroline-4,7-dicarboxamide
CID 12017524
N,2-dimethyl-3-(trifluoromethyl)benzamide
CID 67627642
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-cyclohexyl-2-methylquinoline-5-carboxamide
CID 143116109

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide?
The IUPAC name of N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide (CID 126543972) is N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide?
The canonical SMILES for N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide is CNC(=O)c1cccc2nc(C(C)(C(C)(C)C)C(C)(C)C)ccc12.
What is the InChIKey of N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide?
The InChIKey is GNTHZLPIQXVNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-19(2,3)21(7,20(4,5)6)17-13-12-14-15(18(24)22-8)10-9-11-16(14)23-17/h9-13H,1-8H3,(H,22,24).
What are the key properties of N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide?
N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide has a molecular weight of 326.48 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline-5-carboxamide is sourced from PubChem (CID 126543972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).