6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one

C23H28N4O — CID 138374530

IUPAC6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one
SMILESCC(c1ccccc1)C1CC2CC3C(CC2NC1=O)NNC3c1ccncc1
InChIInChI=1S/C23H28N4O/c1-14(15-5-3-2-4-6-15)18-11-17-12-19-21(13-20(17)25-23(18)28)26-27-22(19)16-7-9-24-10-8-16/h2-10,14,17-22,26-27H,11-13H2,1H3,(H,25,28)
InChIKeyMTSRYDPJGFJGJA-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.93
Rot. Bonds3

About 6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one

6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one (PubChem CID 138374530) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one.

Molecular Properties

Compound Name6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one
PubChem CID138374530
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one
SMILESCC(c1ccccc1)C1CC2CC3C(CC2NC1=O)NNC3c1ccncc1
InChIInChI=1S/C23H28N4O/c1-14(15-5-3-2-4-6-15)18-11-17-12-19-21(13-20(17)25-23(18)28)26-27-22(19)16-7-9-24-10-8-16/h2-10,14,17-22,26-27H,11-13H2,1H3,(H,25,28)
InChIKeyMTSRYDPJGFJGJA-UHFFFAOYSA-N
XLogP2.93
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one with MolForge

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Related Compounds

6-benzyl-3-(2,6-dimethyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374478
6-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374488
(5S)-5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-phenylethyl)piperidin-2-one
CID 67540095
4-(1-phenylethyl)-1-propan-2-ylimidazolidin-2-one
CID 176750424
(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one
CID 134922507
(3R,4S)-4-pyridin-4-yl-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 20638691
6-[2-(3-chlorophenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374382
4-(1-phenylethyl)cyclopentane-1,3-dione
CID 58697779
1-methyl-4-[(1S)-1-phenylethyl]imidazolidin-2-one
CID 24752970
4-[5-(5-pyridin-4-ylpyrazolidin-3-yl)pyrazolidin-3-yl]pyridine
CID 50989563
cis-(2R,4R)-2-[(1S)-1-hydroxyethyl]-4-pyridin-4-ylcyclohexan-1-one
CID 129407996
(2,3-dichlorophenyl)-(3-pyridin-4-yl-1,2,3,3a,4,5,7,7a-octahydropyrazolo[3,4-c]pyridin-6-yl)methanone
CID 134686745

Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one?
The IUPAC name of 6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one (CID 138374530) is 6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one.
What is the SMILES notation for 6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one?
The canonical SMILES for 6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one is CC(c1ccccc1)C1CC2CC3C(CC2NC1=O)NNC3c1ccncc1.
What is the InChIKey of 6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one?
The InChIKey is MTSRYDPJGFJGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-14(15-5-3-2-4-6-15)18-11-17-12-19-21(13-20(17)25-23(18)28)26-27-22(19)16-7-9-24-10-8-16/h2-10,14,17-22,26-27H,11-13H2,1H3,(H,25,28).
What are the key properties of 6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one?
6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one has a molecular weight of 376.50 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethyl)-3-pyridin-4-yl-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one is sourced from PubChem (CID 138374530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).