7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C28H24N4O2 — CID 166228767

IUPAC7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C(c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C28H24N4O2/c33-27(31-14-15-32-22(18-31)17-29-28(32)34)24-16-26(30-25-9-5-4-8-23(24)25)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-13,16,22H,14-15,17-18H2,(H,29,34)
InChIKeyAUZVTOYWAASPMP-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.42
Rot. Bonds3

About 7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 166228767) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID166228767
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C(c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C28H24N4O2/c33-27(31-14-15-32-22(18-31)17-29-28(32)34)24-16-26(30-25-9-5-4-8-23(24)25)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-13,16,22H,14-15,17-18H2,(H,29,34)
InChIKeyAUZVTOYWAASPMP-UHFFFAOYSA-N
XLogP4.42
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8aS)-7-[2-(4-fluorophenyl)quinoline-4-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126452583
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
7-(1H-indazole-3-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094890
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(4-methylphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119636722
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3338926

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 166228767) is 7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C(c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)N1CCN2C(=O)NCC2C1.
What is the InChIKey of 7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is AUZVTOYWAASPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c33-27(31-14-15-32-22(18-31)17-29-28(32)34)24-16-26(30-25-9-5-4-8-23(24)25)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-13,16,22H,14-15,17-18H2,(H,29,34).
What are the key properties of 7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 448.53 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-phenylphenyl)quinoline-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 166228767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).