6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

C18H24N4O2 — CID 95613898

IUPAC6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H](NCCOc1ccc2c(c1)CCC(=O)N2)[C@H](C)n1cccn1
InChIInChI=1S/C18H24N4O2/c1-13(14(2)22-10-3-8-20-22)19-9-11-24-16-5-6-17-15(12-16)4-7-18(23)21-17/h3,5-6,8,10,12-14,19H,4,7,9,11H2,1-2H3,(H,21,23)/t13-,14+/m1/s1
InChIKeyCVUGFIGWWRWBQQ-KGLIPLIRSA-N
MW328.42 g/mol
LogP2.39
Rot. Bonds7

About 6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95613898) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID95613898
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESC[C@@H](NCCOc1ccc2c(c1)CCC(=O)N2)[C@H](C)n1cccn1
InChIInChI=1S/C18H24N4O2/c1-13(14(2)22-10-3-8-20-22)19-9-11-24-16-5-6-17-15(12-16)4-7-18(23)21-17/h3,5-6,8,10,12-14,19H,4,7,9,11H2,1-2H3,(H,21,23)/t13-,14+/m1/s1
InChIKeyCVUGFIGWWRWBQQ-KGLIPLIRSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[2-[1-(1-methylpyrazol-4-yl)propan-2-ylamino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 167990842
6-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 133297263
2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 60562887
6-[2-(2-phenylimidazol-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 163397351
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-propan-2-ylguanidine
CID 111057784
N-methyl-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethylamino]pyridine-3-carboxamide
CID 133318185
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
pyridine;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88752389
1-ethyl-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-3-(2-phenoxyethyl)guanidine
CID 111004911
2-methyl-1-(5-methylhexan-2-yl)-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine
CID 111204252

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 95613898) is 6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is C[C@@H](NCCOc1ccc2c(c1)CCC(=O)N2)[C@H](C)n1cccn1.
What is the InChIKey of 6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CVUGFIGWWRWBQQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(14(2)22-10-3-8-20-22)19-9-11-24-16-5-6-17-15(12-16)4-7-18(23)21-17/h3,5-6,8,10,12-14,19H,4,7,9,11H2,1-2H3,(H,21,23)/t13-,14+/m1/s1.
What are the key properties of 6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 328.42 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95613898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).