cyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C23H23FN4O2 — CID 118306004

IUPACcyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESC[C@H]1CCc2c(ccc(-c3cn(C)nn3)c2Oc2ccc(F)cc2)N1C(=O)C1CC1
InChIInChI=1S/C23H23FN4O2/c1-14-3-10-19-21(28(14)23(29)15-4-5-15)12-11-18(20-13-27(2)26-25-20)22(19)30-17-8-6-16(24)7-9-17/h6-9,11-15H,3-5,10H2,1-2H3/t14-/m0/s1
InChIKeyPEYGWWFDSQICEG-AWEZNQCLSA-N
MW406.46 g/mol
LogP4.49
Rot. Bonds4

About cyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

cyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 118306004) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is cyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID118306004
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Namecyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESC[C@H]1CCc2c(ccc(-c3cn(C)nn3)c2Oc2ccc(F)cc2)N1C(=O)C1CC1
InChIInChI=1S/C23H23FN4O2/c1-14-3-10-19-21(28(14)23(29)15-4-5-15)12-11-18(20-13-27(2)26-25-20)22(19)30-17-8-6-16(24)7-9-17/h6-9,11-15H,3-5,10H2,1-2H3/t14-/m0/s1
InChIKeyPEYGWWFDSQICEG-AWEZNQCLSA-N
XLogP4.49
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-5-cyclobutyloxy-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 118086195
cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 118075935
cyclopropyl-[(2S)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 118075571
cyclopropyl-[5-(3,5-difluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 118306163
methyl 6-(1-cyclopropylpyrazol-4-yl)-5-(4-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 118075666
methyl 8-fluoro-2-methyl-6-(1-methyltriazol-4-yl)-5-phenoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 118075642
methyl (2S)-6-(1-cyclopropylpyrazol-4-yl)-5-(4-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 118075667
6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(4-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 118075619
cyclopropyl-[(2S)-5-(3,4-difluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 118075769
5-(4-fluorophenoxy)-2-methyl-6-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 118305997
(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 118076059
[(2S)-5-cyclobutyloxy-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 118086199

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 118306004) is cyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is C[C@H]1CCc2c(ccc(-c3cn(C)nn3)c2Oc2ccc(F)cc2)N1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is PEYGWWFDSQICEG-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-14-3-10-19-21(28(14)23(29)15-4-5-15)12-11-18(20-13-27(2)26-25-20)22(19)30-17-8-6-16(24)7-9-17/h6-9,11-15H,3-5,10H2,1-2H3/t14-/m0/s1.
What are the key properties of cyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
cyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 406.46 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 118306004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).