N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide

C14H20N2O — CID 51099812

IUPACN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
SMILESCCC(=O)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C14H20N2O/c1-3-14(17)15-10-11-6-7-13-12(9-11)5-4-8-16(13)2/h6-7,9H,3-5,8,10H2,1-2H3,(H,15,17)
InChIKeyCATOCIYFYDHYJS-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.10
Rot. Bonds3

About N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide

N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide (PubChem CID 51099812) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
PubChem CID51099812
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
SMILESCCC(=O)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C14H20N2O/c1-3-14(17)15-10-11-6-7-13-12(9-11)5-4-8-16(13)2/h6-7,9H,3-5,8,10H2,1-2H3,(H,15,17)
InChIKeyCATOCIYFYDHYJS-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099820
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 51100138
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92608335
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-phenylacetamide
CID 110483038
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51099822
1,2-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
CID 110916628
ethyl 4-[N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164274
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide
CID 62097569
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
2-ethyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 110481403
N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide
CID 21050646

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide?
The IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide (CID 51099812) is N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide?
The canonical SMILES for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide is CCC(=O)NCc1ccc2c(c1)CCCN2C.
What is the InChIKey of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide?
The InChIKey is CATOCIYFYDHYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-14(17)15-10-11-6-7-13-12(9-11)5-4-8-16(13)2/h6-7,9H,3-5,8,10H2,1-2H3,(H,15,17).
What are the key properties of N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide?
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide has a molecular weight of 232.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide is sourced from PubChem (CID 51099812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).