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

C14H20N2O — CID 122188347

IUPACN-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2ccccc2N1C
InChIInChI=1S/C14H20N2O/c1-3-14(17)15-10-12-9-8-11-6-4-5-7-13(11)16(12)2/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyFPNNRCLRGJNECF-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.96
Rot. Bonds3

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

N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide (PubChem CID 122188347) 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-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
PubChem CID122188347
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2ccccc2N1C
InChIInChI=1S/C14H20N2O/c1-3-14(17)15-10-12-9-8-11-6-4-5-7-13(11)16(12)2/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyFPNNRCLRGJNECF-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The IUPAC name of N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide (CID 122188347) is N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide is CCC(=O)NCC1CCc2ccccc2N1C.
What is the InChIKey of N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The InChIKey is FPNNRCLRGJNECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-14(17)15-10-12-9-8-11-6-4-5-7-13(11)16(12)2/h4-7,12H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide has a molecular weight of 232.33 g/mol, XLogP of 1.96, 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-2-yl)methyl]propanamide is sourced from PubChem (CID 122188347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).