7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one

C15H17N3O2 — CID 114940155

IUPAC7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCCn1cc(COc2ccc3c(c2)NC(=O)CC3)cn1
InChIInChI=1S/C15H17N3O2/c1-2-18-9-11(8-16-18)10-20-13-5-3-12-4-6-15(19)17-14(12)7-13/h3,5,7-9H,2,4,6,10H2,1H3,(H,17,19)
InChIKeyMXEHAFKHUWSDKB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.37
Rot. Bonds4

About 7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one

7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 114940155) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID114940155
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCCn1cc(COc2ccc3c(c2)NC(=O)CC3)cn1
InChIInChI=1S/C15H17N3O2/c1-2-18-9-11(8-16-18)10-20-13-5-3-12-4-6-15(19)17-14(12)7-13/h3,5,7-9H,2,4,6,10H2,1H3,(H,17,19)
InChIKeyMXEHAFKHUWSDKB-UHFFFAOYSA-N
XLogP2.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(5-bromo-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940207
7-[(3-methyl-2-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940176
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
7-amino-6-(1-ethylpyrazol-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 116800289
7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940190
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
tert-butyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzoate
CID 68588682
5-[(1-ethylpyrazol-4-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683372
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
1-ethyl-4-[(3-ethylphenoxy)methyl]pyrazole
CID 64764003
7-(2-pyridin-4-ylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940079

Frequently Asked Questions

What is the IUPAC name of 7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one (CID 114940155) is 7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one is CCn1cc(COc2ccc3c(c2)NC(=O)CC3)cn1.
What is the InChIKey of 7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MXEHAFKHUWSDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-18-9-11(8-16-18)10-20-13-5-3-12-4-6-15(19)17-14(12)7-13/h3,5,7-9H,2,4,6,10H2,1H3,(H,17,19).
What are the key properties of 7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-ethylpyrazol-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 114940155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).