2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C23H24N2O2 — CID 18088269

IUPAC2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)N1CCCc2ccccc21
InChIInChI=1S/C23H24N2O2/c26-23(25-14-6-11-20-10-4-5-13-22(20)25)18-24(17-21-12-7-15-27-21)16-19-8-2-1-3-9-19/h1-5,7-10,12-13,15H,6,11,14,16-18H2
InChIKeyCREBKXQFHHEHLP-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.26
Rot. Bonds6

About 2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 18088269) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID18088269
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)N1CCCc2ccccc21
InChIInChI=1S/C23H24N2O2/c26-23(25-14-6-11-20-10-4-5-13-22(20)25)18-24(17-21-12-7-15-27-21)16-19-8-2-1-3-9-19/h1-5,7-10,12-13,15H,6,11,14,16-18H2
InChIKeyCREBKXQFHHEHLP-UHFFFAOYSA-N
XLogP4.26
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 113138523
N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 8004672
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51218620
N,N-bis(furan-2-ylmethyl)-1-phenylmethanamine
CID 10825735
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990709
2-[furan-2-ylmethyl(methyl)amino]-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 18124354
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842857
2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834511
2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87015013
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432104
2-benzylsulfinyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 123099535
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 18088269) is 2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(CN(Cc1ccccc1)Cc1ccco1)N1CCCc2ccccc21.
What is the InChIKey of 2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is CREBKXQFHHEHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23(25-14-6-11-20-10-4-5-13-22(20)25)18-24(17-21-12-7-15-27-21)16-19-8-2-1-3-9-19/h1-5,7-10,12-13,15H,6,11,14,16-18H2.
What are the key properties of 2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 360.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 18088269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).