N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

C16H22N2O2 — CID 82737827

IUPACN-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC1OCCC1N(C)C(=O)C1CCNc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-11-15(8-10-20-11)18(2)16(19)13-7-9-17-14-6-4-3-5-12(13)14/h3-6,11,13,15,17H,7-10H2,1-2H3
InChIKeyXMZJEWQEEBTOBN-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.22
Rot. Bonds2

About N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 82737827) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID82737827
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC1OCCC1N(C)C(=O)C1CCNc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-11-15(8-10-20-11)18(2)16(19)13-7-9-17-14-6-4-3-5-12(13)14/h3-6,11,13,15,17H,7-10H2,1-2H3
InChIKeyXMZJEWQEEBTOBN-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 82726090
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-N,2-dimethyloxolan-3-amine
CID 82739817
(4-fluorophenyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598164
N-methyl-N-(oxan-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566431
N-methyl-N-(2-methyloxolan-3-yl)morpholine-2-carboxamide
CID 82738763
tert-butyl (4S)-1,2,3,4-tetrahydroquinoline-4-carboxylate
CID 124603961
N-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566327
2-(4-ethylphenyl)-1-(1,2,3,4-tetrahydroquinolin-4-yl)ethanone
CID 116598165
(3,4-dimethylcyclohexyl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 116598150
2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82737840
N-methyl-N-(2-methyloxolan-3-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 82745104

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 82737827) is N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is CC1OCCC1N(C)C(=O)C1CCNc2ccccc21.
What is the InChIKey of N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is XMZJEWQEEBTOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-15(8-10-20-11)18(2)16(19)13-7-9-17-14-6-4-3-5-12(13)14/h3-6,11,13,15,17H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 82737827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).