4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one

C14H17NO2 — CID 19379677

IUPAC4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1ccc2[nH]c(=O)cc(CCO)c2c1
InChIInChI=1S/C14H17NO2/c1-9(2)10-3-4-13-12(7-10)11(5-6-16)8-14(17)15-13/h3-4,7-9,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyNCXGYAGDYSBFCL-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.19
Rot. Bonds3

About 4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one

4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one (PubChem CID 19379677) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one
PubChem CID19379677
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1ccc2[nH]c(=O)cc(CCO)c2c1
InChIInChI=1S/C14H17NO2/c1-9(2)10-3-4-13-12(7-10)11(5-6-16)8-14(17)15-13/h3-4,7-9,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyNCXGYAGDYSBFCL-UHFFFAOYSA-N
XLogP2.19
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetaminobenzyl alcohol
CID 152141
4,6-Dimethyl-2-hydroxyquinoline
CID 269608
Acetanilide, 2'-(2-hydroxyethyl)-
CID 50350
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
(2E,4E,6E,8E)-N-[4-(hydroxymethyl)phenyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 44561228
(2E,4E,6E,8E)-N-[4-(2-hydroxyethyl)phenyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
CID 44561229
6-Methyl-2,4-dihydroxyquinoline
CID 54676383
6-Ethyl-4-methyl-2(1H)-quinolinone
CID 5324987
N-[4-[cyclohexyl(hydroxy)methyl]phenyl]acetamide
CID 172439947
N-[4-[(R)-cyclohexyl(hydroxy)methyl]phenyl]acetamide
CID 175646706
3-(2-Hydroxy-4,6-dimethylquinolin-3-yl)propanoic acid
CID 2063579
4-(hydroxymethyl)quinolin-2(1H)-one
CID 13342170

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one (CID 19379677) is 4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one is CC(C)c1ccc2[nH]c(=O)cc(CCO)c2c1.
What is the InChIKey of 4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one?
The InChIKey is NCXGYAGDYSBFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)10-3-4-13-12(7-10)11(5-6-16)8-14(17)15-13/h3-4,7-9,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one?
4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one has a molecular weight of 231.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-6-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 19379677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).