6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

C15H19NO5 — CID 22800817

IUPAC6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)[C@H](OCC(O)CO)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H19NO5/c1-9(18)15(21-8-12(19)7-17)11-2-4-13-10(6-11)3-5-14(20)16-13/h2,4,6,12,15,17,19H,3,5,7-8H2,1H3,(H,16,20)/t12?,15-/m0/s1
InChIKeyKECQFOZOYBOEQN-CVRLYYSRSA-N
MW293.32 g/mol
LogP0.57
Rot. Bonds6

About 6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 22800817) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID22800817
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)[C@H](OCC(O)CO)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H19NO5/c1-9(18)15(21-8-12(19)7-17)11-2-4-13-10(6-11)3-5-14(20)16-13/h2,4,6,12,15,17,19H,3,5,7-8H2,1H3,(H,16,20)/t12?,15-/m0/s1
InChIKeyKECQFOZOYBOEQN-CVRLYYSRSA-N
XLogP0.57
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697
6-(1-hydroxybutan-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116964107
6-(1-bromo-2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116859777
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-[1-(dimethylamino)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 116859940
methyl 2,3-dihydroxy-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 171864842
6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854729
methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 116940124
S-[3,4-dihydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butyl] ethanethioate
CID 171876672
N-methyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanehydrazide
CID 116845764
6-(diaminomethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116939160
6-[hydroxy-(2-methylcyclopropyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61087528

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one (CID 22800817) is 6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is CC(=O)[C@H](OCC(O)CO)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KECQFOZOYBOEQN-CVRLYYSRSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9(18)15(21-8-12(19)7-17)11-2-4-13-10(6-11)3-5-14(20)16-13/h2,4,6,12,15,17,19H,3,5,7-8H2,1H3,(H,16,20)/t12?,15-/m0/s1.
What are the key properties of 6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 293.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-(2,3-dihydroxypropoxy)-2-oxopropyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 22800817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).