(3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one

C22H23N5O — CID 138655057

IUPAC(3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one
SMILESC[C@H]1Nc2c(cccc2N2CCCc3cc(-c4cnn(C)c4)ccc32)NC1=O
InChIInChI=1S/C22H23N5O/c1-14-22(28)25-18-6-3-7-20(21(18)24-14)27-10-4-5-16-11-15(8-9-19(16)27)17-12-23-26(2)13-17/h3,6-9,11-14,24H,4-5,10H2,1-2H3,(H,25,28)/t14-/m1/s1
InChIKeyYARNPDZPMSTCOI-CQSZACIVSA-N
MW373.46 g/mol
LogP3.92
Rot. Bonds2

About (3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one

(3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 138655057) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is (3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID138655057
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name(3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one
SMILESC[C@H]1Nc2c(cccc2N2CCCc3cc(-c4cnn(C)c4)ccc32)NC1=O
InChIInChI=1S/C22H23N5O/c1-14-22(28)25-18-6-3-7-20(21(18)24-14)27-10-4-5-16-11-15(8-9-19(16)27)17-12-23-26(2)13-17/h3,6-9,11-14,24H,4-5,10H2,1-2H3,(H,25,28)/t14-/m1/s1
InChIKeyYARNPDZPMSTCOI-CQSZACIVSA-N
XLogP3.92
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one with MolForge

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Related Compounds

1-[(2S)-6-[1-(azetidin-3-yl)pyrazol-4-yl]-4-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079235
(4R)-4-methyl-6-[1-(1-phenylethyl)pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121277864
CID 121277975
CID 121277975
CID 137635790
CID 137635790
3-(3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)-N-phenylpropanamide
CID 52920794
2-[3-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide
CID 54578934
2-(3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)-N-phenylacetamide
CID 54580506
2-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-ylpyrazol-1-yl]-N-phenylacetamide
CID 54770206
US10696655, Example 80
CID 132169883
2-(5-(6-methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)-N-phenylacetamide
CID 54586384
2-[4-(2,3-dimethylquinoxalin-6-yl)-3-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
CID 54769997
2-[4-(2,3-dimethylquinoxalin-6-yl)-5-(6-methyl-2-pyridinyl)pyrazol-1-yl]-N-phenylacetamide
CID 54770207

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of (3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one (CID 138655057) is (3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for (3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for (3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one is C[C@H]1Nc2c(cccc2N2CCCc3cc(-c4cnn(C)c4)ccc32)NC1=O.
What is the InChIKey of (3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is YARNPDZPMSTCOI-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-22(28)25-18-6-3-7-20(21(18)24-14)27-10-4-5-16-11-15(8-9-19(16)27)17-12-23-26(2)13-17/h3,6-9,11-14,24H,4-5,10H2,1-2H3,(H,25,28)/t14-/m1/s1.
What are the key properties of (3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one?
(3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 373.46 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-5-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 138655057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).