2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid

C12H15NO4 — CID 175847816

IUPAC2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.O=C1CCNc2ccccc21
InChIInChI=1S/C9H9NO.C3H6O3/c11-9-5-6-10-8-4-2-1-3-7(8)9;1-2(4)3(5)6/h1-4,10H,5-6H2;2,4H,1H3,(H,5,6)
InChIKeySBVVAUDJWXLYDR-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.14
Rot. Bonds1

About 2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid

2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid (PubChem CID 175847816) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid
PubChem CID175847816
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.O=C1CCNc2ccccc21
InChIInChI=1S/C9H9NO.C3H6O3/c11-9-5-6-10-8-4-2-1-3-7(8)9;1-2(4)3(5)6/h1-4,10H,5-6H2;2,4H,1H3,(H,5,6)
InChIKeySBVVAUDJWXLYDR-UHFFFAOYSA-N
XLogP1.14
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroquinolin-4(1H)-one
CID 117158
2-(2-hydroxyethyl)-1H-quinolin-4-one
CID 68979789
2-(3-hydroxypropyl)-1H-quinolin-4-one
CID 70695494
CID 15517880
CID 15517880
2-propyl-2,3-dihydro-1H-quinolin-4-one
CID 129928518
2,3-Dihydro-4-quinolone hydrochloride
CID 117157
3-(2-Benzoylanilino)propanoic acid
CID 44275438
6-Fluoro-2,3-dihydroquinolin-4(1H)-one
CID 11423781
4-Hydroxyquinoline trihydrate
CID 22766098
3-hydroxy-2-phenyl-2H, 3H, 4H-1-benzopyridin-4-one
CID 14665444
2,3-Dihydro-3-methyl-4(1H)-quinolinone
CID 14714861
4-Hydroxyquinoline-2-acetic acid
CID 39234728

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid?
The IUPAC name of 2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid (CID 175847816) is 2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid.
What is the SMILES notation for 2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid?
The canonical SMILES for 2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid is CC(O)C(=O)O.O=C1CCNc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid?
The InChIKey is SBVVAUDJWXLYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C3H6O3/c11-9-5-6-10-8-4-2-1-3-7(8)9;1-2(4)3(5)6/h1-4,10H,5-6H2;2,4H,1H3,(H,5,6).
What are the key properties of 2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid?
2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid has a molecular weight of 237.26 g/mol, XLogP of 1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-quinolin-4-one;2-hydroxypropanoic acid is sourced from PubChem (CID 175847816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).