2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide

C20H20N2O — CID 34167121

IUPAC2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(C)nc3ccc(C)cc23)c1
InChIInChI=1S/C20H20N2O/c1-13-5-4-6-16(9-13)12-21-20(23)18-11-15(3)22-19-8-7-14(2)10-17(18)19/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyKUIAWYAOUFOHPB-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.09
Rot. Bonds3

About 2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide

2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 34167121) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
PubChem CID34167121
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(C)nc3ccc(C)cc23)c1
InChIInChI=1S/C20H20N2O/c1-13-5-4-6-16(9-13)12-21-20(23)18-11-15(3)22-19-8-7-14(2)10-17(18)19/h4-11H,12H2,1-3H3,(H,21,23)
InChIKeyKUIAWYAOUFOHPB-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyanophenyl)methyl]-2,6-dimethylquinoline-4-carboxamide
CID 134035263
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-4-carboxamide
CID 18076214
2,6-dimethyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 18107562
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 70708439
2,6-dimethyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide
CID 18132304
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 37423259
N-[2-(furan-2-yl)ethyl]-2,6-dimethylquinoline-4-carboxamide
CID 18109779
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide (CID 34167121) is 2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide is Cc1cccc(CNC(=O)c2cc(C)nc3ccc(C)cc23)c1.
What is the InChIKey of 2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is KUIAWYAOUFOHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-13-5-4-6-16(9-13)12-21-20(23)18-11-15(3)22-19-8-7-14(2)10-17(18)19/h4-11H,12H2,1-3H3,(H,21,23).
What are the key properties of 2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide?
2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(3-methylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 34167121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).