6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one

C12H16N2O3 — CID 16795817

IUPAC6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESNCC(O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H16N2O3/c13-6-9(15)7-17-10-2-3-11-8(5-10)1-4-12(16)14-11/h2-3,5,9,15H,1,4,6-7,13H2,(H,14,16)
InChIKeyNGABWPAJCPYMQQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.27
Rot. Bonds4

About 6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one

6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 16795817) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID16795817
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESNCC(O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C12H16N2O3/c13-6-9(15)7-17-10-2-3-11-8(5-10)1-4-12(16)14-11/h2-3,5,9,15H,1,4,6-7,13H2,(H,14,16)
InChIKeyNGABWPAJCPYMQQ-UHFFFAOYSA-N
XLogP0.27
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one (CID 16795817) is 6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one is NCC(O)COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NGABWPAJCPYMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-6-9(15)7-17-10-2-3-11-8(5-10)1-4-12(16)14-11/h2-3,5,9,15H,1,4,6-7,13H2,(H,14,16).
What are the key properties of 6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 16795817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).