6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one

C20H25N3O3 — CID 167885744

IUPAC6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC[C@H](NCC(O)COc1ccc2c(c1)CCC(=O)N2)c1ccccn1
InChIInChI=1S/C20H25N3O3/c1-2-17(19-5-3-4-10-21-19)22-12-15(24)13-26-16-7-8-18-14(11-16)6-9-20(25)23-18/h3-5,7-8,10-11,15,17,22,24H,2,6,9,12-13H2,1H3,(H,23,25)/t15?,17-/m0/s1
InChIKeyGHQFKYIRYAKUTJ-LWKPJOBUSA-N
MW355.44 g/mol
LogP2.45
Rot. Bonds8

About 6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 167885744) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID167885744
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC[C@H](NCC(O)COc1ccc2c(c1)CCC(=O)N2)c1ccccn1
InChIInChI=1S/C20H25N3O3/c1-2-17(19-5-3-4-10-21-19)22-12-15(24)13-26-16-7-8-18-14(11-16)6-9-20(25)23-18/h3-5,7-8,10-11,15,17,22,24H,2,6,9,12-13H2,1H3,(H,23,25)/t15?,17-/m0/s1
InChIKeyGHQFKYIRYAKUTJ-LWKPJOBUSA-N
XLogP2.45
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[(2R)-2-hydroxy-3-(2-methoxyethylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 124570235
6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20540129
6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10835345
6-[2-cyclopropyl-2-(ethylamino)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 63912061
6-[3-(tert-butylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103074282
6-[2-(2,6-difluorophenyl)-2-hydroxyethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 109403412
6-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 67250952
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
1-(4-fluorophenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81391897
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939907
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 167885744) is 6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one is CC[C@H](NCC(O)COc1ccc2c(c1)CCC(=O)N2)c1ccccn1.
What is the InChIKey of 6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GHQFKYIRYAKUTJ-LWKPJOBUSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-17(19-5-3-4-10-21-19)22-12-15(24)13-26-16-7-8-18-14(11-16)6-9-20(25)23-18/h3-5,7-8,10-11,15,17,22,24H,2,6,9,12-13H2,1H3,(H,23,25)/t15?,17-/m0/s1.
What are the key properties of 6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 355.44 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-3-[[(1S)-1-pyridin-2-ylpropyl]amino]propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 167885744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).