7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one

C23H26N4O2 — CID 178187970

IUPAC7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
SMILESCN1CC(C(=O)N2CCCc3ccccc32)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C23H26N4O2/c1-25-14-18(22(28)26-13-7-9-16-8-5-6-12-20(16)26)21-19(15-25)23(29)27(24-21)17-10-3-2-4-11-17/h2-6,8,10-12,18-19,21,24H,7,9,13-15H2,1H3
InChIKeyQIGOVWZQEKQHFT-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.06
Rot. Bonds2

About 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one

7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 178187970) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID178187970
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
SMILESCN1CC(C(=O)N2CCCc3ccccc32)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C23H26N4O2/c1-25-14-18(22(28)26-13-7-9-16-8-5-6-12-20(16)26)21-19(15-25)23(29)27(24-21)17-10-3-2-4-11-17/h2-6,8,10-12,18-19,21,24H,7,9,13-15H2,1H3
InChIKeyQIGOVWZQEKQHFT-UHFFFAOYSA-N
XLogP2.06
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one with MolForge

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Related Compounds

7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187345
2-[4-(5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 178188112
N-[4-(dimethylamino)phenyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187396
(1R,6S)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 1225798
7-(4-acetylpiperazine-1-carbonyl)-5-ethyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178188124
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one
CID 142386717
N-[(3-methoxyphenyl)methyl]-5-methyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187981
[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 11921007
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one
CID 110689141
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one (CID 178187970) is 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one is CN1CC(C(=O)N2CCCc3ccccc32)C2NN(c3ccccc3)C(=O)C2C1.
What is the InChIKey of 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is QIGOVWZQEKQHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-25-14-18(22(28)26-13-7-9-16-8-5-6-12-20(16)26)21-19(15-25)23(29)27(24-21)17-10-3-2-4-11-17/h2-6,8,10-12,18-19,21,24H,7,9,13-15H2,1H3.
What are the key properties of 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one?
7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 390.49 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-5-methyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 178187970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).