6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

C20H25N5O2 — CID 133297263

IUPAC6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCNc3cc(N4CCCCC4)ncn3)ccc2N1
InChIInChI=1S/C20H25N5O2/c26-20-7-4-15-12-16(5-6-17(15)24-20)27-11-8-21-18-13-19(23-14-22-18)25-9-2-1-3-10-25/h5-6,12-14H,1-4,7-11H2,(H,24,26)(H,21,22,23)
InChIKeyKAWHZVSTSRXVKX-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.84
Rot. Bonds6

About 6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 133297263) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID133297263
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCNc3cc(N4CCCCC4)ncn3)ccc2N1
InChIInChI=1S/C20H25N5O2/c26-20-7-4-15-12-16(5-6-17(15)24-20)27-11-8-21-18-13-19(23-14-22-18)25-9-2-1-3-10-25/h5-6,12-14H,1-4,7-11H2,(H,24,26)(H,21,22,23)
InChIKeyKAWHZVSTSRXVKX-UHFFFAOYSA-N
XLogP2.84
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55971867
6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 95613898
2,6-dimethyl-4-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carbonitrile
CID 133396864
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868473
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
N-[2-(2,4-difluorophenoxy)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133291658
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 112861185
6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 13054218
N-methyl-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carboxamide
CID 133318185
3-(4-tert-butylphenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]propanamide
CID 78891707
1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]pyrrolidine-3-carboxylic acid
CID 119355075

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 133297263) is 6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCCNc3cc(N4CCCCC4)ncn3)ccc2N1.
What is the InChIKey of 6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KAWHZVSTSRXVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-20-7-4-15-12-16(5-6-17(15)24-20)27-11-8-21-18-13-19(23-14-22-18)25-9-2-1-3-10-25/h5-6,12-14H,1-4,7-11H2,(H,24,26)(H,21,22,23).
What are the key properties of 6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 367.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 133297263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).