2-(3-hydroxypropyl)-1H-quinolin-4-one

C12H13NO2 — CID 70695494

IUPAC2-(3-hydroxypropyl)-1H-quinolin-4-one
SMILESO=c1cc(CCCO)[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c14-7-3-4-9-8-12(15)10-5-1-2-6-11(10)13-9/h1-2,5-6,8,14H,3-4,7H2,(H,13,15)
InChIKeyVWTLFKMWUGGXGI-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.45
Rot. Bonds3

About 2-(3-hydroxypropyl)-1H-quinolin-4-one

2-(3-hydroxypropyl)-1H-quinolin-4-one (PubChem CID 70695494) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-1H-quinolin-4-one
PubChem CID70695494
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(3-hydroxypropyl)-1H-quinolin-4-one
SMILESO=c1cc(CCCO)[nH]c2ccccc12
InChIInChI=1S/C12H13NO2/c14-7-3-4-9-8-12(15)10-5-1-2-6-11(10)13-9/h1-2,5-6,8,14H,3-4,7H2,(H,13,15)
InChIKeyVWTLFKMWUGGXGI-UHFFFAOYSA-N
XLogP1.45
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-1H-quinolin-4-one?
The IUPAC name of 2-(3-hydroxypropyl)-1H-quinolin-4-one (CID 70695494) is 2-(3-hydroxypropyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(3-hydroxypropyl)-1H-quinolin-4-one is O=c1cc(CCCO)[nH]c2ccccc12.
What is the InChIKey of 2-(3-hydroxypropyl)-1H-quinolin-4-one?
The InChIKey is VWTLFKMWUGGXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-7-3-4-9-8-12(15)10-5-1-2-6-11(10)13-9/h1-2,5-6,8,14H,3-4,7H2,(H,13,15).
What are the key properties of 2-(3-hydroxypropyl)-1H-quinolin-4-one?
2-(3-hydroxypropyl)-1H-quinolin-4-one has a molecular weight of 203.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-1H-quinolin-4-one is sourced from PubChem (CID 70695494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).