2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide

C20H23FN4O3 — CID 118075980

IUPAC2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide
SMILESCC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(OC(F)C(N)=O)c2CC[C@@H]1C
InChIInChI=1S/C20H23FN4O3/c1-11-3-6-16-17(25(11)12(2)26)8-7-15(18(16)28-19(21)20(22)27)13-9-23-24(10-13)14-4-5-14/h7-11,14,19H,3-6H2,1-2H3,(H2,22,27)/t11-,19?/m0/s1
InChIKeyCBTUVBQDIOMSLC-IFGYVTRGSA-N
MW386.43 g/mol
LogP2.73
Rot. Bonds5

About 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide

2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide (PubChem CID 118075980) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide.

Molecular Properties

Compound Name2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide
PubChem CID118075980
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide
SMILESCC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(OC(F)C(N)=O)c2CC[C@@H]1C
InChIInChI=1S/C20H23FN4O3/c1-11-3-6-16-17(25(11)12(2)26)8-7-15(18(16)28-19(21)20(22)27)13-9-23-24(10-13)14-4-5-14/h7-11,14,19H,3-6H2,1-2H3,(H2,22,27)/t11-,19?/m0/s1
InChIKeyCBTUVBQDIOMSLC-IFGYVTRGSA-N
XLogP2.73
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(2-methylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123614252
1-[5-cyclopentyloxy-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123768060
1-[6-(1-cyclopropylpyrazol-4-yl)-5-(3,3-difluorocyclobutyl)oxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118306073
1-[(2S)-5-(cyclohexylmethoxy)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118076338
2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide
CID 118076256
2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]pyridine-3-carboxamide
CID 118075963
1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-5-[(3-fluorooxetan-3-yl)methoxy]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118075883
1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(1,3-thiazol-2-yloxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118076465
1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(pyrrolidin-3-ylmethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123971816
2-[[1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-1-morpholin-4-ylethanone
CID 118075906
1-[(2S)-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-quinazolin-2-yloxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118075401
1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(2-pyrrolidin-3-ylethoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123537334

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide?
The IUPAC name of 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide (CID 118075980) is 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide.
What is the SMILES notation for 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide?
The canonical SMILES for 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide is CC(=O)N1c2ccc(-c3cnn(C4CC4)c3)c(OC(F)C(N)=O)c2CC[C@@H]1C.
What is the InChIKey of 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide?
The InChIKey is CBTUVBQDIOMSLC-IFGYVTRGSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-11-3-6-16-17(25(11)12(2)26)8-7-15(18(16)28-19(21)20(22)27)13-9-23-24(10-13)14-4-5-14/h7-11,14,19H,3-6H2,1-2H3,(H2,22,27)/t11-,19?/m0/s1.
What are the key properties of 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide?
2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide has a molecular weight of 386.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-acetyl-6-(1-cyclopropylpyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-2-fluoroacetamide is sourced from PubChem (CID 118075980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).