benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one

C19H21NO4 — CID 175542045

IUPACbenzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one
SMILESCCC(=O)OCc1ccccc1.O=C1CCNc2cccc(O)c21
InChIInChI=1S/C10H12O2.C9H9NO2/c1-2-10(11)12-8-9-6-4-3-5-7-9;11-7-3-1-2-6-9(7)8(12)4-5-10-6/h3-7H,2,8H2,1H3;1-3,10-11H,4-5H2
InChIKeyIPQJPFCRQMETRU-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.53
Rot. Bonds3

About benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one

benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one (PubChem CID 175542045) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Namebenzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one
PubChem CID175542045
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namebenzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one
SMILESCCC(=O)OCc1ccccc1.O=C1CCNc2cccc(O)c21
InChIInChI=1S/C10H12O2.C9H9NO2/c1-2-10(11)12-8-9-6-4-3-5-7-9;11-7-3-1-2-6-9(7)8(12)4-5-10-6/h3-7H,2,8H2,1H3;1-3,10-11H,4-5H2
InChIKeyIPQJPFCRQMETRU-UHFFFAOYSA-N
XLogP3.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl propanoate;hydrochloride
CID 140986165
benzyl propanoate;3,4-dihydro-1H-quinolin-2-one
CID 70445748
(3-phenylphenyl)methyl propanoate
CID 67574989
benzyl propanoate;butyl propanoate
CID 19966788
benzyl propanoate;methyl benzoate
CID 70307580
benzyl 4-propanoyloxybutanoate
CID 163613543
[4-(aminomethyl)phenyl]methyl propanoate
CID 166101936
benzyl 4-(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-4-oxobutanoate
CID 15107212
benzyl butanoate;propanoic acid
CID 175271849
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl 3,4-dimethylhexanoate
CID 123356915
4-O-benzyl 1-O-ethyl (2S)-2-hydroxybutanedioate
CID 102323442

Frequently Asked Questions

What is the IUPAC name of benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one (CID 175542045) is benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one is CCC(=O)OCc1ccccc1.O=C1CCNc2cccc(O)c21.
What is the InChIKey of benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is IPQJPFCRQMETRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C9H9NO2/c1-2-10(11)12-8-9-6-4-3-5-7-9;11-7-3-1-2-6-9(7)8(12)4-5-10-6/h3-7H,2,8H2,1H3;1-3,10-11H,4-5H2.
What are the key properties of benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one?
benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 327.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl propanoate;5-hydroxy-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 175542045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).