N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide

C17H22N2O — CID 134005859

IUPACN,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)N(C)CC(C)C)c2c1
InChIInChI=1S/C17H22N2O/c1-11(2)10-19(5)17(20)15-9-13(4)18-16-7-6-12(3)8-14(15)16/h6-9,11H,10H2,1-5H3
InChIKeyDWIKOGZTPIEPTQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.58
Rot. Bonds3

About N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide

N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 134005859) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID134005859
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)N(C)CC(C)C)c2c1
InChIInChI=1S/C17H22N2O/c1-11(2)10-19(5)17(20)15-9-13(4)18-16-7-6-12(3)8-14(15)16/h6-9,11H,10H2,1-5H3
InChIKeyDWIKOGZTPIEPTQ-UHFFFAOYSA-N
XLogP3.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005837
N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
N-[2-(dimethylamino)-2-oxoethyl]-N,2,6-trimethylquinoline-4-carboxamide
CID 155945625
2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide
CID 55370471
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,6-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 29242290
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 31543502
N-(2,5-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55591955
N,2,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]quinoline-4-carboxamide
CID 18120133
N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide
CID 70723101
N-[2-(diethylamino)propyl]-2,6-dimethylquinoline-4-carboxamide
CID 55675834
2,6-dimethyl-N-propan-2-ylquinoline-4-carboxamide
CID 18107936
N-(2,4-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55592541

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide (CID 134005859) is N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)N(C)CC(C)C)c2c1.
What is the InChIKey of N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is DWIKOGZTPIEPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11(2)10-19(5)17(20)15-9-13(4)18-16-7-6-12(3)8-14(15)16/h6-9,11H,10H2,1-5H3.
What are the key properties of N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide?
N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 134005859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).