N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide

C15H22N2O2 — CID 122188346

IUPACN-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2c(OC)cccc2N1C
InChIInChI=1S/C15H22N2O2/c1-4-15(18)16-10-11-8-9-12-13(17(11)2)6-5-7-14(12)19-3/h5-7,11H,4,8-10H2,1-3H3,(H,16,18)
InChIKeyZSELWOXQYWTXNS-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.97
Rot. Bonds4

About N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide

N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide (PubChem CID 122188346) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
PubChem CID122188346
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2c(OC)cccc2N1C
InChIInChI=1S/C15H22N2O2/c1-4-15(18)16-10-11-8-9-12-13(17(11)2)6-5-7-14(12)19-3/h5-7,11H,4,8-10H2,1-3H3,(H,16,18)
InChIKeyZSELWOXQYWTXNS-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The IUPAC name of N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide (CID 122188346) is N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide is CCC(=O)NCC1CCc2c(OC)cccc2N1C.
What is the InChIKey of N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The InChIKey is ZSELWOXQYWTXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-15(18)16-10-11-8-9-12-13(17(11)2)6-5-7-14(12)19-3/h5-7,11H,4,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide is sourced from PubChem (CID 122188346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).