benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate

C19H21NO2 — CID 139697216

IUPACbenzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C19H21NO2/c1-15(19(21)22-14-16-8-3-2-4-9-16)20-13-7-11-17-10-5-6-12-18(17)20/h2-6,8-10,12,15H,7,11,13-14H2,1H3
InChIKeyLZGOLOYGQAMLAX-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.57
Rot. Bonds4

About benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate

benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate (PubChem CID 139697216) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate.

Molecular Properties

Compound Namebenzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate
PubChem CID139697216
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namebenzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate
SMILESCC(C(=O)OCc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C19H21NO2/c1-15(19(21)22-14-16-8-3-2-4-9-16)20-13-7-11-17-10-5-6-12-18(17)20/h2-6,8-10,12,15H,7,11,13-14H2,1H3
InChIKeyLZGOLOYGQAMLAX-UHFFFAOYSA-N
XLogP3.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
benzyl 2-(3-amino-2-oxoazocan-1-yl)propanoate
CID 23322536
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800848
2-(3,4-dihydro-2H-quinolin-1-yl)butanamide
CID 62901418
benzyl 2-(4-oxopiperidin-1-yl)propanoate
CID 82342726
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 26551728
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 46646494
benzyl (2S)-3-methyl-2-(2-oxopiperidin-1-yl)butanoate
CID 130457082
N-(cyclopropylcarbamoyl)-2-(3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 51281393
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 9249756
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate?
The IUPAC name of benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate (CID 139697216) is benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate.
What is the SMILES notation for benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate?
The canonical SMILES for benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate is CC(C(=O)OCc1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate?
The InChIKey is LZGOLOYGQAMLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-15(19(21)22-14-16-8-3-2-4-9-16)20-13-7-11-17-10-5-6-12-18(17)20/h2-6,8-10,12,15H,7,11,13-14H2,1H3.
What are the key properties of benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate?
benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate has a molecular weight of 295.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3,4-dihydro-2H-quinolin-1-yl)propanoate is sourced from PubChem (CID 139697216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).