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

C22H22N4O2 — CID 118075935

IUPACcyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESC[C@H]1CCc2c(ccc(-c3cn[nH]n3)c2Oc2ccccc2)N1C(=O)C1CC1
InChIInChI=1S/C22H22N4O2/c1-14-7-10-18-20(26(14)22(27)15-8-9-15)12-11-17(19-13-23-25-24-19)21(18)28-16-5-3-2-4-6-16/h2-6,11-15H,7-10H2,1H3,(H,23,24,25)/t14-/m0/s1
InChIKeyXQZOBJQIAOZYCD-AWEZNQCLSA-N
MW374.44 g/mol
LogP4.34
Rot. Bonds4

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

cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 118075935) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID118075935
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Namecyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESC[C@H]1CCc2c(ccc(-c3cn[nH]n3)c2Oc2ccccc2)N1C(=O)C1CC1
InChIInChI=1S/C22H22N4O2/c1-14-7-10-18-20(26(14)22(27)15-8-9-15)12-11-17(19-13-23-25-24-19)21(18)28-16-5-3-2-4-6-16/h2-6,11-15H,7-10H2,1H3,(H,23,24,25)/t14-/m0/s1
InChIKeyXQZOBJQIAOZYCD-AWEZNQCLSA-N
XLogP4.34
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Related Compounds

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-[(2S)-5-(4-fluorophenoxy)-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 118306004
[6-[(Z)-2-amino-1-hydrazinylethenyl]-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 144846261
[5-cyclobutyloxy-2-methyl-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 118076329
(2S)-6-cyano-2-methyl-5-phenoxy-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 118075956
[(2S)-5-cyclobutyloxy-2-methyl-6-(1-methylimidazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 118086199
[(2S)-5-cyclobutyloxy-2-methyl-6-(1-methyltriazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 118086195
3-tert-butyl-4-[1-[1-(cyclopropanecarbonyl)-2-methyl-5-phenoxy-3,4-dihydro-2H-quinolin-6-yl]pyrazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 118306132
cyclopropyl-[5-(3,5-difluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 118306163
[(2S)-6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 118075511
1,2-dimethyl-5-phenoxy-6-(1H-pyrazol-5-yl)-3,4-dihydro-2H-quinoline
CID 155418659
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

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 118075935) is cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is C[C@H]1CCc2c(ccc(-c3cn[nH]n3)c2Oc2ccccc2)N1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is XQZOBJQIAOZYCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-7-10-18-20(26(14)22(27)15-8-9-15)12-11-17(19-13-23-25-24-19)21(18)28-16-5-3-2-4-6-16/h2-6,11-15H,7-10H2,1H3,(H,23,24,25)/t14-/m0/s1.
What are the key properties of cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2S)-2-methyl-5-phenoxy-6-(2H-triazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 118075935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).