6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline

C23H24F2N4O — CID 123893801

IUPAC6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2c(ccc(-c3cnn(C4CNC4)c3)c2Oc2cc(F)cc(F)c2)N1C
InChIInChI=1S/C23H24F2N4O/c1-14-3-4-21-22(28(14)2)6-5-20(15-10-27-29(13-15)18-11-26-12-18)23(21)30-19-8-16(24)7-17(25)9-19/h5-10,13-14,18,26H,3-4,11-12H2,1-2H3
InChIKeyLIBHEKPZAQWYKW-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.54
Rot. Bonds4

About 6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline

6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline (PubChem CID 123893801) has the molecular formula C23H24F2N4O and a molecular weight of 410.47 g/mol. Its IUPAC name is 6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline
PubChem CID123893801
Molecular FormulaC23H24F2N4O
Molecular Weight410.47 g/mol
Exact Mass410.19
IUPAC Name6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline
SMILESCC1CCc2c(ccc(-c3cnn(C4CNC4)c3)c2Oc2cc(F)cc(F)c2)N1C
InChIInChI=1S/C23H24F2N4O/c1-14-3-4-21-22(28(14)2)6-5-20(15-10-27-29(13-15)18-11-26-12-18)23(21)30-19-8-16(24)7-17(25)9-19/h5-10,13-14,18,26H,3-4,11-12H2,1-2H3
InChIKeyLIBHEKPZAQWYKW-UHFFFAOYSA-N
XLogP4.54
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

US10131663, Example 6
CID 134453461
US10131663, Example 19
CID 134453506
US10131663, Example 21
CID 134453518
1-(3-fluoropropyl)-N-[3-methoxy-4-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]azetidin-3-amine
CID 134453528
N-[4-[(6S,8R)-7-(2-fluoro-2-methylpropyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-methoxyphenyl]-1-(3-fluoropropyl)azetidin-3-amine
CID 134453565
4-[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-N-[(1S)-1-naphthalen-1-ylethyl]piperazine-1-carboxamide
CID 70802548
US10131663, Example 15
CID 134453493
1-[(2R)-5-(cyclobutylmethoxy)-6-[1-[(3R,4S)-3-fluoropiperidin-4-yl]pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 137649726
US10131663, Example 14
CID 134453495
4-(1-benzyl-1H-pyrazol-4-yl)-3-(difluoromethoxy)aniline
CID 117799613
methyl (2S)-5-(4-fluorophenoxy)-2-methyl-6-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 118075387
5-(4-Fluorophenoxy)-2,2-dimethyl-6-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-3,4-dihydroquinoline-1-carboxylic acid
CID 118075388

Frequently Asked Questions

What is the IUPAC name of 6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline (CID 123893801) is 6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline is CC1CCc2c(ccc(-c3cnn(C4CNC4)c3)c2Oc2cc(F)cc(F)c2)N1C.
What is the InChIKey of 6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline?
The InChIKey is LIBHEKPZAQWYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O/c1-14-3-4-21-22(28(14)2)6-5-20(15-10-27-29(13-15)18-11-26-12-18)23(21)30-19-8-16(24)7-17(25)9-19/h5-10,13-14,18,26H,3-4,11-12H2,1-2H3.
What are the key properties of 6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline?
6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline has a molecular weight of 410.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(3,5-difluorophenoxy)-1,2-dimethyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 123893801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).