6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

C18H24N4O2 — CID 167990842

IUPAC6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(Cc1cnn(C)c1)NCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H24N4O2/c1-13(9-14-11-20-22(2)12-14)19-7-8-24-16-4-5-17-15(10-16)3-6-18(23)21-17/h4-5,10-13,19H,3,6-9H2,1-2H3,(H,21,23)
InChIKeyOKTNLHSCUVEAGW-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.90
Rot. Bonds7

About 6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 167990842) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID167990842
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(Cc1cnn(C)c1)NCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H24N4O2/c1-13(9-14-11-20-22(2)12-14)19-7-8-24-16-4-5-17-15(10-16)3-6-18(23)21-17/h4-5,10-13,19H,3,6-9H2,1-2H3,(H,21,23)
InChIKeyOKTNLHSCUVEAGW-UHFFFAOYSA-N
XLogP1.90
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 95613898
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120734
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
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
2-methyl-1-(5-methylhexan-2-yl)-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine
CID 111204252
2-(ethylamino)-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 63038955
2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 60562887
3-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]butanoic acid
CID 119221434
6-[2-(2-phenylimidazol-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 163397351
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 13054218

Frequently Asked Questions

What is the IUPAC name of 6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 167990842) is 6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is CC(Cc1cnn(C)c1)NCCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OKTNLHSCUVEAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(9-14-11-20-22(2)12-14)19-7-8-24-16-4-5-17-15(10-16)3-6-18(23)21-17/h4-5,10-13,19H,3,6-9H2,1-2H3,(H,21,23).
What are the key properties of 6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 167990842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).