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

C21H26N2O2 — CID 121231413

IUPACN-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-21(24)22-14-17-12-13-18-19(10-7-11-20(18)25-2)23(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H,22,24)
InChIKeyVLPGTHUDTCBGRU-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.54
Rot. Bonds6

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

N-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide (PubChem CID 121231413) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
PubChem CID121231413
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-21(24)22-14-17-12-13-18-19(10-7-11-20(18)25-2)23(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H,22,24)
InChIKeyVLPGTHUDTCBGRU-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
(6R)-1-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)-6-({[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]oxy}methyl)piperazin-2-one
CID 11387864
AAE-M-PBP-amine
CID 24763223
1-(3-(Benzyloxy)-2-methylphenyl)piperazine
CID 25263303
(4R)-6-[(E)-5-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 146035914
N-[2-(7-{[(2R)-1-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)piperazin-2-yl]methoxy}-1,2,3,4-tetrahydroquinolin-1-yl)ethyl]acetamide
CID 11250413
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}acetamide
CID 16656789
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}butanamide
CID 24750071
N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750077
N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide
CID 24750189
N-[(S)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-butyramide
CID 44358146

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The IUPAC name of N-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide (CID 121231413) is N-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide is CCC(=O)NCC1CCc2c(OC)cccc2N1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The InChIKey is VLPGTHUDTCBGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-21(24)22-14-17-12-13-18-19(10-7-11-20(18)25-2)23(17)15-16-8-5-4-6-9-16/h4-11,17H,3,12-15H2,1-2H3,(H,22,24).
What are the key properties of N-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
N-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-methoxy-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide is sourced from PubChem (CID 121231413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).