2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate

C19H22N2O4 — CID 71845169

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)OCCN1CCCc2ccccc21
InChIInChI=1S/C19H22N2O4/c1-14(20-18(22)17-9-5-12-24-17)19(23)25-13-11-21-10-4-7-15-6-2-3-8-16(15)21/h2-3,5-6,8-9,12,14H,4,7,10-11,13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyZMFVRBZCGMPXOE-AWEZNQCLSA-N
MW342.40 g/mol
LogP2.39
Rot. Bonds6

About 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate

2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate (PubChem CID 71845169) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate
PubChem CID71845169
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)OCCN1CCCc2ccccc21
InChIInChI=1S/C19H22N2O4/c1-14(20-18(22)17-9-5-12-24-17)19(23)25-13-11-21-10-4-7-15-6-2-3-8-16(15)21/h2-3,5-6,8-9,12,14H,4,7,10-11,13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyZMFVRBZCGMPXOE-AWEZNQCLSA-N
XLogP2.39
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate with MolForge

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Related Compounds

N-[1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 46447030
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8846968
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18280287
undec-10-enyl 2-(furan-2-carbonylamino)propanoate
CID 6423003
N-[1-[2-(4-benzylpiperazin-1-yl)ethylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 134015009
N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36972876
2-(2,3-dihydroindol-1-yl)ethyl acetate
CID 174450799
N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16973566
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 113218177
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 2091720
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 24588515
N-[1-[(2-methyl-2-piperidin-1-ylpropyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51164355

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate (CID 71845169) is 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate is C[C@H](NC(=O)c1ccco1)C(=O)OCCN1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is ZMFVRBZCGMPXOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(20-18(22)17-9-5-12-24-17)19(23)25-13-11-21-10-4-7-15-6-2-3-8-16(15)21/h2-3,5-6,8-9,12,14H,4,7,10-11,13H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate?
2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 342.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)ethyl (2S)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 71845169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).